Popular repositories
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SiteFerret
SiteFerret PublicClustering of SES virtual probes for pocket generation and ranking via Isolation Forest
Jupyter Notebook 8
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shrec22_proteinLigandBenchmark
shrec22_proteinLigandBenchmark PublicDataset and evalutaion tools of the Shrec 2022 contest on protein-ligand binding site recognition
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MOAD_ligandFinder
MOAD_ligandFinder PublicForked from lucagl/MOAD_ligandFinder
A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according to the *valid* ligands found in the binding MOAD database. T…
Python 1
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shrec22_PLBinding_evaluationTools
shrec22_PLBinding_evaluationTools PublicEvalutaion tools of the Shrec 2022 contest on protein-ligand binding site recognition
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Repositories
- AbAgInterface Public
- SiteFerret Public
Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest
- NS_pocket Public Forked from lucagl/NS_pocket
Python interface for the pocket detection method of the NanoShaper software with volume ranking
- MOAD_ligandFinder Public Forked from lucagl/MOAD_ligandFinder
A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according to the *valid* ligands found in the binding MOAD database. The ligand can be extracted as a pdb or as a xyz (coordinate) file. Other options such as converting the queried pdb to pqr are available .
- shrec22_PLBinding_evaluationTools Public
Evalutaion tools of the Shrec 2022 contest on protein-ligand binding site recognition
- shrec22_proteinLigandBenchmark Public
Dataset and evalutaion tools of the Shrec 2022 contest on protein-ligand binding site recognition
- mpdb2xyzr Public Forked from lucagl/mpdb2xyzr
Converts mpdb files to a set of frames in xyzr format given a reference PQR file
- solventExposed Public Forked from lucagl/solventExposed
A script based on NanoShaper protein surface software returning the list of atoms and residues solvent exposed (or according to a user defined probe radius)
