GitHub - everthoman/SBDD

Name		Name	Last commit message	Last commit date
Latest commit History 74 Commits
.gitignore		.gitignore
PAINS.txt		PAINS.txt
REOS.txt		REOS.txt
clustering.py		clustering.py
contact_inspector.py		contact_inspector.py
custom_filters.txt		custom_filters.txt
diverse_ligands.py		diverse_ligands.py
environment.yml		environment.yml
fpocket_pymol.py		fpocket_pymol.py
gnina.py		gnina.py
gnina_htvs.py		gnina_htvs.py
gnina_sp.py		gnina_sp.py
gnina_xp.py		gnina_xp.py
ligfilter.py		ligfilter.py
ligprep.py		ligprep.py
mcs_rmsd.py		mcs_rmsd.py
mmgbsa.py		mmgbsa.py
plifs.py		plifs.py
posebusters.py		posebusters.py
protprep.py		protprep.py
select_top.py		select_top.py
sim_matrix.py		sim_matrix.py
t-sne.py		t-sne.py