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pacpac Public
Probe and cluster antibody paratopes and clonotypes
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SolPred Public
Machine learning model to predict aqueous solubility of organic compounds
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SolubilityPrediction Public
Forked from arhamshah/SolubilityPredictionA web based application predicts water solubility of any given chemical compound known or unknown
Jupyter Notebook UpdatedApr 14, 2021 -
surechembl-data-client Public
Forked from chembl/surechembl-data-clientA collection of scripts for retrieving, storing, and querying SureChEMBL data.
Python MIT License UpdatedFeb 22, 2021 -
dockit Public
High-throughput molecular docking with multiple targets and ligands using Vina series engines
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amber-emm Public
Python utility script to perform energy minimisation on a small molecule PDB file using AmberTools
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gene-correlation-analysis Public
Gene expression correlation analysis of selected genes in various cancers
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surechembl-mini-client Public
A SureChEMBL client to download all compound structures
Python UpdatedFeb 5, 2020 -
PyCORN Public
Forked from pyahmed/PyCORNconvert_res.py is a modified PyCORN utility to generate .png plots from .res files
Python UpdatedMar 3, 2019 -
preFold Public
Tool for peptide sequence foldability prediction (inspired by FoldIndex written in Python).
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Theoretical Mass Spectrometry spectra solver for peptide sequences.
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catalytic-triad-detection Public
Detect catalytic triads in serine protease PDB files based on geometry
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High-throughput-molecular-docking Public archive
High throughput molecular docking using AD Vina and virtual screening pipeline
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NetAna Public
Network analysis tool with GUI for undirected networks
Java MIT License UpdatedMay 29, 2017
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