ncordeirfcup / QSAR-Co-XLinks
☆14Updated 2 years ago
Alternatives and similar repositories for QSAR-Co-X
Users that are interested in QSAR-Co-X are comparing it to the libraries listed below
Sorting:
- Tool for mining structure-property relationships from chemical datasets☆16Updated 10 months ago
- cime public repository☆32Updated 2 years ago
- ☆17Updated 2 years ago
- ☆14Updated 3 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- Data repository for pkasolver☆13Updated 3 years ago
- ☆31Updated 5 months ago
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- Benchmark interpretation of QSAR models☆15Updated 3 years ago
- Snippets for common computer-aided drug design tasks☆10Updated 7 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- ☆10Updated 6 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- ChEMBL Similarity Search☆17Updated 4 years ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated last month
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 7 months ago
- ☆37Updated 2 years ago
- Modeling Tanimoto distributions for RDKit☆18Updated 5 years ago
- Tools for molecular Docking☆26Updated last month
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆26Updated 3 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- Cloud-based Drug Binding Structure Prediction☆38Updated 6 months ago
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Updated 5 months ago
- ☆37Updated 3 years ago
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last year
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Updated last year
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆24Updated 5 months ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆20Updated 3 weeks ago