xavgit

Pinned Repositories

AutoDock-GPU
AutoDock for GPUs and other accelerators
Language:C++384 15 203104
ProLIF
Interaction Fingerprints for protein-ligand complexes and more
Language:Python351 16 13966
gnina
A deep learning framework for molecular docking
Language:C++591 30 205142
lightdock
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Language:Python300 12 6639
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
Language:Python1.3k 42 2.2k646
mdtraj
An open library for the analysis of molecular dynamics trajectories
Language:Python580 47 1k277
msmbuilder2022
Statistical models for biomolecular dynamics
Language:Python33 7 1117
viamd
Visual Interactive Analysis of Molecular Dynamics
Language:C++269 11 6028
hdbscan
A high performance implementation of HDBSCAN clustering.
Language:Jupyter Notebook2.8k 56 510497
xavgit
Config files for my GitHub profile.
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