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 Category
- Announcements 34
- Slides 9
- RDKit 7
- Workshops 7
- Drug Discovery 7
- Cheminformatics 6
- Jobs 5
- Drug Design 4
- Code 3
- Hackathon 3
- Machine Learning & AI 3
- Recipes 2
- Python 2
- Biomolecular Simulation 2
- Publishing 2
- Courses 1
- Virtual Reality 1
- Quantum Mechanics 1
- Careers 1
- Computational Chemistry 1
- Robotics 1
- Uncategorized 1
- Toxicology 1
Announcements
CCK-19: Oxford + Cambridge + Berlin
Wednesday, 30 November 2022, 3:30-5 pm GMT
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 ...
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-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-15
TL;DR: CCK-15, the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, will be on Thursday, September 5th,...
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-13 & MGMS: Molecular VR
Please join us for our next “Comp Chem Kitchen”, CCK-13, being jointly held with the Molecular Graphics and Modelling Society:
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,...
Announcement: Course on Machine Learning for Chemoinformatics
Dr Martyn Winn would like to announce the following course:
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:
CCK-12 Postponed
Given CCK-12 would have fallen while many people are on vacation, we are postponing CCK-12 so more can enjoy it.
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-10 Hackathon
*TL;DR: CCK-10 Hackathon, Part 1 of the 10th in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Wednesda...
CCK-9
TL;DR: CCK-9, the 9th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, November 9th, 201...
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...
Forthcoming CCK schedule
Meetings this term
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,...
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*...
“Mathematical Chemistry and ChemoInformatics”
Announcement forwarded on behalf of Prof. Jotun Hein <[email protected]>, Chair of Bioinformatics, Department of Statistics:
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...
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-4
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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...
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...
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...
Register
To help us gauge expected numbers for the first meeting, it would be helpful if you could either register via Eventbrite: [https://www.</wbr>eventbrite...
First meeting
CCK-1 (Tuesday 24th May)
Announcing Comp Chem Kitchen
TL;DR: A new series of meetings for computational chemists, cheminformaticians, and molecular modelers is starting.
Slides
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-10 Hackathon Photos
We all had a lot of fun at our first CCK Hackathon, and our groups explored some very cool ideas using Python, RDKit, the CSD Python API, and CCDC tools such...
CCK-9: Slides from Paul Finn, Oxford Drug Discovery
Prof. Paul Finn has kindly shared his slides from CCK-9:
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:
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-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-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:
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-10 Hackathon
*TL;DR: CCK-10 Hackathon, Part 1 of the 10th in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Wednesda...
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-5.1 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...
First meeting
CCK-1 (Tuesday 24th May)
Workshops
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...
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:
CCK-10 Hackathon
*TL;DR: CCK-10 Hackathon, Part 1 of the 10th in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Wednesda...
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...
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:
Drug Discovery
CCK-19: Oxford + Cambridge + Berlin
Wednesday, 30 November 2022, 3:30-5 pm GMT
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 ...
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-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-9
TL;DR: CCK-9, the 9th of our new series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Thursday, November 9th, 201...
CCK-4
- - - - - -
Cheminformatics
CCK-19: Oxford + Cambridge + Berlin
Wednesday, 30 November 2022, 3:30-5 pm GMT
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 ...
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:
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, ...
Jobs
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.
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).
Job: XChem Software Engineer, Diamond Light Source
(From: Frank von Delft, DLS & SGC):
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 ...
Drug Design
CCK-19: Oxford + Cambridge + Berlin
Wednesday, 30 November 2022, 3:30-5 pm GMT
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 ...
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, ...
Code
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-10 Hackathon
*TL;DR: CCK-10 Hackathon, Part 1 of the 10th in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Wednesda...
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...
Hackathon
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-10 Hackathon Photos
We all had a lot of fun at our first CCK Hackathon, and our groups explored some very cool ideas using Python, RDKit, the CSD Python API, and CCDC tools such...
CCK-10 Hackathon
*TL;DR: CCK-10 Hackathon, Part 1 of the 10th in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Wednesda...
Machine Learning & AI
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 ...
CCK-15
TL;DR: CCK-15, the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, will be on Thursday, September 5th,...
Recipes
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...
Python
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-10 Hackathon
*TL;DR: CCK-10 Hackathon, Part 1 of the 10th in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, is on Wednesda...
Biomolecular Simulation
CCK-15
TL;DR: CCK-15, the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, will be on Thursday, September 5th,...
CCK-13 & MGMS: Molecular VR
Please join us for our next “Comp Chem Kitchen”, CCK-13, being jointly held with the Molecular Graphics and Modelling Society:
Publishing
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 ...
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, ...
Courses
Announcement: Course on Machine Learning for Chemoinformatics
Dr Martyn Winn would like to announce the following course:
Virtual Reality
CCK-13 & MGMS: Molecular VR
Please join us for our next “Comp Chem Kitchen”, CCK-13, being jointly held with the Molecular Graphics and Modelling Society:
Quantum Mechanics
CCK-15
TL;DR: CCK-15, the next in our series of meetings for computational chemists, cheminformaticians, and molecular modelers, will be on Thursday, September 5th,...
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, ...
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, ...
Robotics
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, ...
Uncategorized
CCK-17: Slides from Wendy Warr
Here are Wendy’s slides from her inspiring talk, “My Way”, last week here in Oxford:
Toxicology
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 ...