I have a PhD in Chemistry and I love contributing to open source computational chemistry projects!
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PhD 👨🔬 Cheminformatics, Molecular Modeling & Machine Learning
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Recursion
- Oxford
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19:04
- 1h ahead - cedric.bouysset.net
- https://orcid.org/0000-0002-7814-8158
- @cedric.bouysset.net
- in/cedric-bouysset
Highlights
- Pro
Pinned Loading
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chemosim-lab/ProLIF
chemosim-lab/ProLIF PublicInteraction Fingerprints for protein-ligand complexes and more
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molhighlighter
molhighlighter PublicMulticolored substructure highlights made easy
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MDAnalysis/mdanalysis
MDAnalysis/mdanalysis PublicMDAnalysis is a Python library to analyze molecular dynamics simulations.
89 contributions in the last year
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Activity overview
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Contribution activity
July 2025
Created 10 commits in 4 repositories
Created a pull request in chemosim-lab/ProLIF that received 2 comments
Opened 5 other pull requests in 3 repositories
chemosim-lab/ProLIF
1
open
1
merged
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Add
split_molecule
This contribution was made on Jul 18 -
Update Hydrophobic and HBond SMARTS
This contribution was made on Jul 15
cbouy/bokehmol
2
merged
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Release 0.2.0
This contribution was made on Jul 14
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Update build and fix JS loading
This contribution was made on Jul 14
cbouy/mols2grid
1
merged
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AnyWidgets + UV
This contribution was made on Jul 17
Reviewed 5 pull requests in 2 repositories
chemosim-lab/ProLIF
4 pull requests
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feat: coordinates computation for protein residues using nx
This contribution was made on Jul 21
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protein_helper function
This contribution was made on Jul 17
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Implicit hbond main function
This contribution was made on Jul 17
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Enable option to export lignetwork data as a networkx graph object
This contribution was made on Jul 3
MDAnalysis/mdanalysis
1 pull request
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RDKit converter inferring
This contribution was made on Jul 4
2
contributions
in private repositories
Jul 1