Journal of Cheminformatics
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Repositories
- GENiPPI Public Forked from AspirinCode/GENiPPI
Interface-aware molecular generative framework for protein-protein interaction modulators (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00930-0)
jcheminform/GENiPPI’s past year of commit activity - DeepMol Public Forked from BioSystemsUM/DeepMol
DeepMol: A Machine and Deep Learning Framework for Computational Chemistry (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00937-7)
jcheminform/DeepMol’s past year of commit activity - group-graph Public Forked from piaoyang1992/group-graph
Group graph: a molecular graph representation with enhanced performance, efficiency and interpretability (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00933-x)
jcheminform/group-graph’s past year of commit activity - deepmol_case_studies Public Forked from BioSystemsUM/deepmol_case_studies
Case Studies from the DeepMol Publication (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00937-7)
jcheminform/deepmol_case_studies’s past year of commit activity - hitl-al-gomg Public Forked from yasminenahal/hitl-al-gomg
Human-in-the-loop active learning for goal-oriented molecule generation (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00924-y)
jcheminform/hitl-al-gomg’s past year of commit activity - MIE_QSAR Public Forked from DGadaleta88/MIE_QSAR
Quantitative structure–activity relationships of chemical bioactivity toward proteins associated with molecular initiating events of organ-specific toxicity (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00917-x)
jcheminform/MIE_QSAR’s past year of commit activity - LBS-comparison Public Forked from bartongroup/LBS-comparison
Comparative evaluation of methods for the prediction of protein–ligand binding sites (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00923-z)
jcheminform/LBS-comparison’s past year of commit activity - CidalsDB Public Forked from Harigua/CidalsDB
cidalsDB: an AI-empowered platform for anti-pathogen therapeutics research (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00929-7)
jcheminform/CidalsDB’s past year of commit activity - ECFP-Sort-and-Slice Public Forked from oxpig/ECFP-Sort-and-Slice
Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs) (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00932-y)
jcheminform/ECFP-Sort-and-Slice’s past year of commit activity - CSearch Public Forked from seoklab/CSearch
CSearch: Chemical Space Search via Virtual Synthesis and Global Optimization (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00936-8)
jcheminform/CSearch’s past year of commit activity
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