CCK-20: Greg Landrum – Monday 20 November 17:00 GMT, Stats + Zoom
TL;DR: CCK-20**: **Greg Landrum* — the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Monday No...
Posts by Tag
- Cheminformatics 13
- Industrial 10
- Python 10
- Machine Learning 5
- RDKit 5
- CCDC 4
- CCK-1 4
- CSD 4
- CCK-2 3
- Chemical Space 3
- CCK-3.2 3
- Squonk 3
- CCK-5.1 3
- InhibOx 2
- Protein-Ligand Interactions 2
- SABS CDT 2
- Scikit-learn 2
- Jupyter Notebooks 2
- Slides 2
- NMR 2
- Valence Bond Theory 2
- Drug Discovery 2
- informatics 2
- notebook 2
- Mathematical Chemistry 2
- KNIME.com AG 2
- T5 Informatics GmbH 2
- CCK-11 2
- GPUs 2
- Molecular Dynamics 2
- eCheminfo 2
- Computational Chemistry 2
- De novo Drug Design 2
- CCK-17 2
- CCK-18 2
- Django 1
- Abott's Kitchen 1
- Directions 1
- How to find us 1
- Location 1
- matplotlib 1
- numpy 1
- Python 2 1
- Support Vector Machine 1
- BiobOx 1
- Biochemistry 1
- CCP-NC 1
- Chemistry 1
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- Crystallography 1
- EVB 1
- Evotec 1
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- Programming Languages 1
- QM/MM 1
- CCK-3 1
- CCK-3.1 1
- Graph Algorithms 1
- LINTools 1
- tools 1
- CCK-4 1
- Code Profiling 1
- Drug-like Molecules 1
- Fragment-Based Drug Discovery 1
- ICR 1
- KNIME 1
- Book Review 1
- Statistics 1
- CCK-6 1
- Herbicides 1
- Structure-Based Design 1
- Syngenta UK 1
- CCK-7 1
- Git 1
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- Automated Organic Synthesis 1
- Deep Learning 1
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- Protein-Ligand Binding Affinity 1
- Marie Skłodowska-Curie Fellowship 1
- Oxford Drug Design 1
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Cheminformatics
CCK-17
TL;DR: CCK-17, will be on Thursday, November 28th, 2019, at 5:00 pm in the Seminar Room, Department of Biochemistry, University of Oxford, South Parks Road, ...
Job: Computational Chemist at Oxford Drug Design
Oxford Drug Design is a unique biotechnology company. Supported by a proprietary set of computational chemistry methods developed in-house over the past 15 y...
Job: Assistant Professorship at University of Warwick
Warwick Computational Chemistry is currently hiring an Assistant Professor in machine learning/cheminformatics. More information can be found here.
CCK-14 Hackathon-2: 13 December 2018
TL;DR: CCK-14 Hackathon-2: Thursday, December 13th, 2018, from 10 am – 5 pm in the Computer Suite, Department of Biochemistry, University of Oxford, South Pa...
Announcement: Course on Machine Learning for Chemoinformatics
Dr Martyn Winn would like to announce the following course:
CCK-7
TL;DR: CCK-7, the 7th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, March 16th, 2017,...
“Mathematical Chemistry and ChemoInformatics”
Announcement forwarded on behalf of Prof. Jotun Hein <[email protected]>, Chair of Bioinformatics, Department of Statistics:
Announcing the “Molecule Combinatorics” and “Chemoinformatics” Discussion Group
Our CCK members might be interested to know Prof. Jotun Hein, Chair of Bioinformatics in the Department of Statistics at the University of Oxford, and his co...
CCK-3.2: Slides from Tim Dudgeon
Here are the slides from Tim Dudgeon’s talk “The Squonk Computational Notebook: Making cheminformatics and comp chem accessible to normal people!” at CCK-3.2.
CCK-3.2 Update
Tim Dudgeon of Informatics Matters will be giving a Lightning Talk at CCK-3.2 on “The Squonk Computational Notebook – making cheminformatics and comp chem ac...
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
CCK-2 Update
Mike Bodkin (Vice President, Research Informatics, Evotec) will be speaking about “Chemical space and how to warp drive discovery”. Mike says, “I’ll talk abo...
Industrial
CCK-11
*TL;DR: CCK-11, the 11th of our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, February 1st, 2018...
CCK-6
The next Comp Chem Kitchen for computational chemists, cheminformaticians, and molecular modelers will be on ***Thursday*** **January 12th, 2017, at 5.00 pm*...
Jupyter RDKit Notebooks from Greg Landrum’s CCK-5.1 Workshop
Greg Landrum’s RDKit workshop today at CCK-5.1 was excellent: some of the Jupyter notebooks he demoed or used as slides are already available:
CCK-5 [including RDKit workshop]
CCK-5, on Tuesday, November 1st, 2016, will be another “two-parter” comprised of CCK-5.1 and CCK-5.2. We would like to thank Evotec(UK) Ltd. for supporting t...
CCK-3.2: Slides from Tim Dudgeon
Here are the slides from Tim Dudgeon’s talk “The Squonk Computational Notebook: Making cheminformatics and comp chem accessible to normal people!” at CCK-3.2.
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
CCK-2 Update
Mike Bodkin (Vice President, Research Informatics, Evotec) will be speaking about “Chemical space and how to warp drive discovery”. Mike says, “I’ll talk abo...
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
CCK-1: Slides from Michael Charlton, InhibOx
Here are the slides from Michael Charlton, InhibOx, that were presented at CCK-1:
First meeting
CCK-1 (Tuesday 24th May)
Python
Job: Computational Chemist at Oxford Drug Design
Oxford Drug Design is a unique biotechnology company. Supported by a proprietary set of computational chemistry methods developed in-house over the past 15 y...
CCK-14 Hackathon-2: 13 December 2018
TL;DR: CCK-14 Hackathon-2: Thursday, December 13th, 2018, from 10 am – 5 pm in the Computer Suite, Department of Biochemistry, University of Oxford, South Pa...
Announcement: Course on Machine Learning for Chemoinformatics
Dr Martyn Winn would like to announce the following course:
CCK-7
TL;DR: CCK-7, the 7th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, March 16th, 2017,...
Jupyter RDKit Notebooks from Greg Landrum’s CCK-5.1 Workshop
Greg Landrum’s RDKit workshop today at CCK-5.1 was excellent: some of the Jupyter notebooks he demoed or used as slides are already available:
CCK-5 [including RDKit workshop]
CCK-5, on Tuesday, November 1st, 2016, will be another “two-parter” comprised of CCK-5.1 and CCK-5.2. We would like to thank Evotec(UK) Ltd. for supporting t...
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
CSD Python API example
# Number of non-H atoms in molecules reported in the Cambridge Structural Database[¶](#Number-of-non-H-atoms-in-molecules-reported-in-the-Cambridge-Structura...
First meeting
CCK-1 (Tuesday 24th May)
Machine Learning
Job: Computational Chemist at Oxford Drug Design
Oxford Drug Design is a unique biotechnology company. Supported by a proprietary set of computational chemistry methods developed in-house over the past 15 y...
Announcement: Course on Machine Learning for Chemoinformatics
Dr Martyn Winn would like to announce the following course:
CCK-8
TL;DR: CCK-8, the 8th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, October 26th, 201...
CCK-1: Slides from Jerome Wicker, Department of Chemistry
Here are the slides from Jerome Wicker, Department of Chemistry, that were presented at CCK-1:
First meeting
CCK-1 (Tuesday 24th May)
RDKit
CCK-20: Greg Landrum – Monday 20 November 17:00 GMT, Stats + Zoom
TL;DR: CCK-20**: **Greg Landrum* — the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Monday No...
CCK-7
TL;DR: CCK-7, the 7th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, March 16th, 2017,...
Jupyter RDKit Notebooks from Greg Landrum’s CCK-5.1 Workshop
Greg Landrum’s RDKit workshop today at CCK-5.1 was excellent: some of the Jupyter notebooks he demoed or used as slides are already available:
CCK-5 [including RDKit workshop]
CCK-5, on Tuesday, November 1st, 2016, will be another “two-parter” comprised of CCK-5.1 and CCK-5.2. We would like to thank Evotec(UK) Ltd. for supporting t...
First meeting
CCK-1 (Tuesday 24th May)
CCDC
CCK-14 Hackathon-2: 13 December 2018
TL;DR: CCK-14 Hackathon-2: Thursday, December 13th, 2018, from 10 am – 5 pm in the Computer Suite, Department of Biochemistry, University of Oxford, South Pa...
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
CSD Python API example
# Number of non-H atoms in molecules reported in the Cambridge Structural Database[¶](#Number-of-non-H-atoms-in-molecules-reported-in-the-Cambridge-Structura...
First meeting
CCK-1 (Tuesday 24th May)
CCK-1
CCK-1: Slides from Jerome Wicker, Department of Chemistry
Here are the slides from Jerome Wicker, Department of Chemistry, that were presented at CCK-1:
CCK-1: Slides from Michael Charlton, InhibOx
Here are the slides from Michael Charlton, InhibOx, that were presented at CCK-1:
CSD Python API example
# Number of non-H atoms in molecules reported in the Cambridge Structural Database[¶](#Number-of-non-H-atoms-in-molecules-reported-in-the-Cambridge-Structura...
First meeting
CCK-1 (Tuesday 24th May)
CSD
CCK-14 Hackathon-2: 13 December 2018
TL;DR: CCK-14 Hackathon-2: Thursday, December 13th, 2018, from 10 am – 5 pm in the Computer Suite, Department of Biochemistry, University of Oxford, South Pa...
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
CSD Python API example
# Number of non-H atoms in molecules reported in the Cambridge Structural Database[¶](#Number-of-non-H-atoms-in-molecules-reported-in-the-Cambridge-Structura...
First meeting
CCK-1 (Tuesday 24th May)
CCK-2
CCK-2: Slides from Fernanda Duarte
Here are the slides from Fernanda Duarte’s talk “Using Valence Bond Theory to Model (Bio)Chemical Reactivity” at CCK-2.
CCK-2 Update
Mike Bodkin (Vice President, Research Informatics, Evotec) will be speaking about “Chemical space and how to warp drive discovery”. Mike says, “I’ll talk abo...
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Chemical Space
CCK-8
TL;DR: CCK-8, the 8th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, October 26th, 201...
CCK-2 Update
Mike Bodkin (Vice President, Research Informatics, Evotec) will be speaking about “Chemical space and how to warp drive discovery”. Mike says, “I’ll talk abo...
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
CCK-3.2
CCK-3.2: Slides from Tim Dudgeon
Here are the slides from Tim Dudgeon’s talk “The Squonk Computational Notebook: Making cheminformatics and comp chem accessible to normal people!” at CCK-3.2.
CCK-3.2 Update
Tim Dudgeon of Informatics Matters will be giving a Lightning Talk at CCK-3.2 on “The Squonk Computational Notebook – making cheminformatics and comp chem ac...
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
Squonk
CCK-3.2: Slides from Tim Dudgeon
Here are the slides from Tim Dudgeon’s talk “The Squonk Computational Notebook: Making cheminformatics and comp chem accessible to normal people!” at CCK-3.2.
CCK-3.2 Update
Tim Dudgeon of Informatics Matters will be giving a Lightning Talk at CCK-3.2 on “The Squonk Computational Notebook – making cheminformatics and comp chem ac...
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
CCK-5.1
Jupyter RDKit Notebooks from Greg Landrum’s CCK-5.1 Workshop
Greg Landrum’s RDKit workshop today at CCK-5.1 was excellent: some of the Jupyter notebooks he demoed or used as slides are already available:
CCK-5.1 Quick Poll
If you’re one of the lucky people who have signed up for the CCK-5.1 workshop and hackathon tomorrow, we’d like to know if you have any special interests, so...
CCK-5 [including RDKit workshop]
CCK-5, on Tuesday, November 1st, 2016, will be another “two-parter” comprised of CCK-5.1 and CCK-5.2. We would like to thank Evotec(UK) Ltd. for supporting t...
InhibOx
CCK-1: Slides from Michael Charlton, InhibOx
Here are the slides from Michael Charlton, InhibOx, that were presented at CCK-1:
First meeting
CCK-1 (Tuesday 24th May)
Protein-Ligand Interactions
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
First meeting
CCK-1 (Tuesday 24th May)
SABS CDT
CCK-4
- - - - - -
First meeting
CCK-1 (Tuesday 24th May)
Scikit-learn
CCK-1: Slides from Jerome Wicker, Department of Chemistry
Here are the slides from Jerome Wicker, Department of Chemistry, that were presented at CCK-1:
First meeting
CCK-1 (Tuesday 24th May)
Jupyter Notebooks
Jupyter RDKit Notebooks from Greg Landrum’s CCK-5.1 Workshop
Greg Landrum’s RDKit workshop today at CCK-5.1 was excellent: some of the Jupyter notebooks he demoed or used as slides are already available:
CSD Python API example
# Number of non-H atoms in molecules reported in the Cambridge Structural Database[¶](#Number-of-non-H-atoms-in-molecules-reported-in-the-Cambridge-Structura...
Slides
CCK-1: Slides from Jerome Wicker, Department of Chemistry
Here are the slides from Jerome Wicker, Department of Chemistry, that were presented at CCK-1:
CCK-1: Slides from Michael Charlton, InhibOx
Here are the slides from Michael Charlton, InhibOx, that were presented at CCK-1:
NMR
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Valence Bond Theory
CCK-2: Slides from Fernanda Duarte
Here are the slides from Fernanda Duarte’s talk “Using Valence Bond Theory to Model (Bio)Chemical Reactivity” at CCK-2.
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Drug Discovery
CCK-8
TL;DR: CCK-8, the 8th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, October 26th, 201...
CCK-2 Update
Mike Bodkin (Vice President, Research Informatics, Evotec) will be speaking about “Chemical space and how to warp drive discovery”. Mike says, “I’ll talk abo...
informatics
CCK-3.2: Slides from Tim Dudgeon
Here are the slides from Tim Dudgeon’s talk “The Squonk Computational Notebook: Making cheminformatics and comp chem accessible to normal people!” at CCK-3.2.
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
notebook
CCK-3.2: Slides from Tim Dudgeon
Here are the slides from Tim Dudgeon’s talk “The Squonk Computational Notebook: Making cheminformatics and comp chem accessible to normal people!” at CCK-3.2.
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
Mathematical Chemistry
“Mathematical Chemistry and ChemoInformatics”
Announcement forwarded on behalf of Prof. Jotun Hein <[email protected]>, Chair of Bioinformatics, Department of Statistics:
Announcing the “Molecule Combinatorics” and “Chemoinformatics” Discussion Group
Our CCK members might be interested to know Prof. Jotun Hein, Chair of Bioinformatics in the Department of Statistics at the University of Oxford, and his co...
KNIME.com AG
Jupyter RDKit Notebooks from Greg Landrum’s CCK-5.1 Workshop
Greg Landrum’s RDKit workshop today at CCK-5.1 was excellent: some of the Jupyter notebooks he demoed or used as slides are already available:
CCK-5 [including RDKit workshop]
CCK-5, on Tuesday, November 1st, 2016, will be another “two-parter” comprised of CCK-5.1 and CCK-5.2. We would like to thank Evotec(UK) Ltd. for supporting t...
T5 Informatics GmbH
Jupyter RDKit Notebooks from Greg Landrum’s CCK-5.1 Workshop
Greg Landrum’s RDKit workshop today at CCK-5.1 was excellent: some of the Jupyter notebooks he demoed or used as slides are already available:
CCK-5 [including RDKit workshop]
CCK-5, on Tuesday, November 1st, 2016, will be another “two-parter” comprised of CCK-5.1 and CCK-5.2. We would like to thank Evotec(UK) Ltd. for supporting t...
CCK-11
CCK-11 Slides from Ole Juul Andersen
“Using GPUs with Molecular Dynamics codes: optimizing usage from a user perspective” by Dr. Ole Juul Andersen, Department of Biochemistry, University of Oxfo...
CCK-11
*TL;DR: CCK-11, the 11th of our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, February 1st, 2018...
GPUs
CCK-11 Slides from Ole Juul Andersen
“Using GPUs with Molecular Dynamics codes: optimizing usage from a user perspective” by Dr. Ole Juul Andersen, Department of Biochemistry, University of Oxfo...
CCK-11
*TL;DR: CCK-11, the 11th of our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, February 1st, 2018...
Molecular Dynamics
CCK-11 Slides from Ole Juul Andersen
“Using GPUs with Molecular Dynamics codes: optimizing usage from a user perspective” by Dr. Ole Juul Andersen, Department of Biochemistry, University of Oxfo...
CCK-11
*TL;DR: CCK-11, the 11th of our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, February 1st, 2018...
eCheminfo
CCK-12
*TL;DR: CCK-12, the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, will be on Tuesday, September 4th,...
Announcing the eCheminfo Oxford 2018 workshop
On behalf of the eCheminfo Network and Community of Practice, we would like to announce that the eCheminfo Oxford 2018 workshop is now open to registrations:
Computational Chemistry
CCK-17
TL;DR: CCK-17, will be on Thursday, November 28th, 2019, at 5:00 pm in the Seminar Room, Department of Biochemistry, University of Oxford, South Parks Road, ...
Job: Computational Chemist at Oxford Drug Design
Oxford Drug Design is a unique biotechnology company. Supported by a proprietary set of computational chemistry methods developed in-house over the past 15 y...
De novo Drug Design
CCK-17
TL;DR: CCK-17, will be on Thursday, November 28th, 2019, at 5:00 pm in the Seminar Room, Department of Biochemistry, University of Oxford, South Parks Road, ...
CCK-16
TL;DR: CCK-16, the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, will be on Thursday, October 31st, ...
CCK-17
Richard Gowers from NextMove Software speaking at CCK-17
In addition to Wendy Warr and André Frade, we are pleased to announce Richard Gowers from NextMove Software will also be speaking at CCK-17:
Congratulations to Dr Wendy Warr
2020 Herman Skolnik Award winner announced…
CCK-18
CCK-18 on YouTube
CCK-18 is available on YouTube: watch and listen to talks from Prof. Andreas Bender, University of Cambridge; and Dr Vicky Hellon, F1000 Research.
CCK-18
UPDATE: We are going virtual! Our next Comp Chem Kitchen, CCK-18, will be a webinar, on Friday, March 27, 2020, at 5-6 pm. We are delighted to announce that ...
Django
First meeting
CCK-1 (Tuesday 24th May)
Abott's Kitchen
Directions
CCK-1 will be held in the Abbot’s Kitchen in the Inorganic Chemistry Laboratory on South Parks Road. Volunteers should be available before the start of the m...
Directions
Directions
CCK-1 will be held in the Abbot’s Kitchen in the Inorganic Chemistry Laboratory on South Parks Road. Volunteers should be available before the start of the m...
How to find us
Directions
CCK-1 will be held in the Abbot’s Kitchen in the Inorganic Chemistry Laboratory on South Parks Road. Volunteers should be available before the start of the m...
Location
Directions
CCK-1 will be held in the Abbot’s Kitchen in the Inorganic Chemistry Laboratory on South Parks Road. Volunteers should be available before the start of the m...
matplotlib
CSD Python API example
# Number of non-H atoms in molecules reported in the Cambridge Structural Database[¶](#Number-of-non-H-atoms-in-molecules-reported-in-the-Cambridge-Structura...
numpy
CSD Python API example
# Number of non-H atoms in molecules reported in the Cambridge Structural Database[¶](#Number-of-non-H-atoms-in-molecules-reported-in-the-Cambridge-Structura...
Python 2
CSD Python API example
# Number of non-H atoms in molecules reported in the Cambridge Structural Database[¶](#Number-of-non-H-atoms-in-molecules-reported-in-the-Cambridge-Structura...
Support Vector Machine
CCK-1: Slides from Jerome Wicker, Department of Chemistry
Here are the slides from Jerome Wicker, Department of Chemistry, that were presented at CCK-1:
BiobOx
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Biochemistry
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
CCP-NC
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Chemistry
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Chemoinformatics
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Crystallography
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
EVB
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Evotec
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Julia
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Materials
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
Programming Languages
CCK-2 (Tuesday 14th June)
Our second meeting, CCK-2 will be held in the Abbott’s Kitchen in the Inorganic Chemistry Laboratory, South Parks Road, Oxford, OX1 3QR at 5 pm on Tuesday Ju...
QM/MM
CCK-2: Slides from Fernanda Duarte
Here are the slides from Fernanda Duarte’s talk “Using Valence Bond Theory to Model (Bio)Chemical Reactivity” at CCK-2.
CCK-3
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
CCK-3.1
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
Graph Algorithms
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
LINTools
CCK-3
Our third meeting, CCK-3, on Tuesday, July 12th, 2016, will be a little different: it will be a two-parter, CCK-3.1 and CCK-3.2:
tools
CCK-3.2: Slides from Tim Dudgeon
Here are the slides from Tim Dudgeon’s talk “The Squonk Computational Notebook: Making cheminformatics and comp chem accessible to normal people!” at CCK-3.2.
CCK-4
CCK-4
- - - - - -
Code Profiling
CCK-4
- - - - - -
Drug-like Molecules
CCK-4
- - - - - -
Fragment-Based Drug Discovery
CCK-4
- - - - - -
ICR
CCK-4
- - - - - -
KNIME
CCK-4
- - - - - -
Book Review
“Mathematical Chemistry and ChemoInformatics”
Announcement forwarded on behalf of Prof. Jotun Hein <[email protected]>, Chair of Bioinformatics, Department of Statistics:
Statistics
“Mathematical Chemistry and ChemoInformatics”
Announcement forwarded on behalf of Prof. Jotun Hein <[email protected]>, Chair of Bioinformatics, Department of Statistics:
CCK-6
CCK-6
The next Comp Chem Kitchen for computational chemists, cheminformaticians, and molecular modelers will be on ***Thursday*** **January 12th, 2017, at 5.00 pm*...
Herbicides
CCK-6
The next Comp Chem Kitchen for computational chemists, cheminformaticians, and molecular modelers will be on ***Thursday*** **January 12th, 2017, at 5.00 pm*...
Structure-Based Design
CCK-6
The next Comp Chem Kitchen for computational chemists, cheminformaticians, and molecular modelers will be on ***Thursday*** **January 12th, 2017, at 5.00 pm*...
Syngenta UK
CCK-6
The next Comp Chem Kitchen for computational chemists, cheminformaticians, and molecular modelers will be on ***Thursday*** **January 12th, 2017, at 5.00 pm*...
CCK-7
CCK-7
TL;DR: CCK-7, the 7th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, March 16th, 2017,...
Git
CCK-7
TL;DR: CCK-7, the 7th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, March 16th, 2017,...
Pandas
CCK-7
TL;DR: CCK-7, the 7th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, March 16th, 2017,...
Automated Organic Synthesis
CCK-8
TL;DR: CCK-8, the 8th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, October 26th, 201...
Deep Learning
CCK-8
TL;DR: CCK-8, the 8th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, October 26th, 201...
Experimental Design
CCK-8
TL;DR: CCK-8, the 8th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, October 26th, 201...
Protein-Ligand Binding Affinity
CCK-8
TL;DR: CCK-8, the 8th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, October 26th, 201...
Marie Skłodowska-Curie Fellowship
ODD Job: PhD Fellowship
Oxford Drug Design is looking for a Computational Chemist interested in doing PhD (via the University of Buckingham), who will be funded by a Fellowship via ...
Oxford Drug Design
ODD Job: PhD Fellowship
Oxford Drug Design is looking for a Computational Chemist interested in doing PhD (via the University of Buckingham), who will be funded by a Fellowship via ...
PhD
ODD Job: PhD Fellowship
Oxford Drug Design is looking for a Computational Chemist interested in doing PhD (via the University of Buckingham), who will be funded by a Fellowship via ...
Vertex Pharmaceuticals
CCK-11
*TL;DR: CCK-11, the 11th of our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, February 1st, 2018...
Conferences
Announcing the eCheminfo Oxford 2018 workshop
On behalf of the eCheminfo Network and Community of Practice, we would like to announce that the eCheminfo Oxford 2018 workshop is now open to registrations:
Biomolecular Simulation
CCK-12
*TL;DR: CCK-12, the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, will be on Tuesday, September 4th,...
Solvation
CCK-12
*TL;DR: CCK-12, the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, will be on Tuesday, September 4th,...
Toxicology
CCK-12
*TL;DR: CCK-12, the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, will be on Tuesday, September 4th,...
CCK-14
CCK-14 Hackathon-2: 13 December 2018
TL;DR: CCK-14 Hackathon-2: Thursday, December 13th, 2018, from 10 am – 5 pm in the Computer Suite, Department of Biochemistry, University of Oxford, South Pa...
Structural Bioinformatics
Job: RSE position in Oxford Protein Informatics Group
Applications are invited for the post of Research Software Engineer within the Oxford Protein Informatics Group, http://opig.stats.ox.ac.uk/ (OPIG).
C++
Job: Computational Chemist at Oxford Drug Design
Oxford Drug Design is a unique biotechnology company. Supported by a proprietary set of computational chemistry methods developed in-house over the past 15 y...
CADD
Job: Computational Chemist at Oxford Drug Design
Oxford Drug Design is a unique biotechnology company. Supported by a proprietary set of computational chemistry methods developed in-house over the past 15 y...
Java
Job: Computational Chemist at Oxford Drug Design
Oxford Drug Design is a unique biotechnology company. Supported by a proprietary set of computational chemistry methods developed in-house over the past 15 y...
AI for Reaction Prediction
CCK-17
TL;DR: CCK-17, will be on Thursday, November 28th, 2019, at 5:00 pm in the Seminar Room, Department of Biochemistry, University of Oxford, South Parks Road, ...
Big Data
CCK-17
TL;DR: CCK-17, will be on Thursday, November 28th, 2019, at 5:00 pm in the Seminar Room, Department of Biochemistry, University of Oxford, South Parks Road, ...
Careers
CCK-17
TL;DR: CCK-17, will be on Thursday, November 28th, 2019, at 5:00 pm in the Seminar Room, Department of Biochemistry, University of Oxford, South Parks Road, ...
Consulting
CCK-17
TL;DR: CCK-17, will be on Thursday, November 28th, 2019, at 5:00 pm in the Seminar Room, Department of Biochemistry, University of Oxford, South Parks Road, ...
Publishing
CCK-17
TL;DR: CCK-17, will be on Thursday, November 28th, 2019, at 5:00 pm in the Seminar Room, Department of Biochemistry, University of Oxford, South Parks Road, ...
Retrosynthesis Software
CCK-17
TL;DR: CCK-17, will be on Thursday, November 28th, 2019, at 5:00 pm in the Seminar Room, Department of Biochemistry, University of Oxford, South Parks Road, ...
Herman Skolnick Award
Congratulations to Dr Wendy Warr
2020 Herman Skolnik Award winner announced…