3 results found Sort:

pharmai
plip pharmai
107
459
gpl-2.0
16
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
pdb plip docker openbabel singularity bioinformatics python-bindings protein-structure scientific-computing
Created 2014-12-16
524 commits to master branch, last one about a year ago
oddt
oddt oddt
119
418
bsd-3-clause
22
Open Drug Discovery Toolkit
rdkit python docking scoring openbabel screening cheminformatics
Created 2014-08-20
765 commits to master branch, last one 2 years ago
AngelRuizMoreno
Jupyter_Dock AngelRuizMoreno
67
258
mit
12
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
rdkit ledock protein py3dmol autodock openbabel mdanalysis drug-design autodock-vina drug-discovery cheminformatics drug-repurposing jupyter-notebook molecular-docking protein-structure computational-biology
Created 2021-09-10
29 commits to main branch, last one 2 years ago