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 last month
- cime public repository☆33Updated 2 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- ☆14Updated 3 years ago
- ☆32Updated 8 months ago
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆26Updated 3 years ago
- ☆17Updated 3 years ago
- Snippets for common computer-aided drug design tasks☆10Updated 8 years ago
- Data repository for pkasolver☆13Updated 3 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Updated 2 years ago
- Tools for molecular Docking☆27Updated 4 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Updated 8 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 10 months ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆28Updated last month
- Generative RNN for molecule de novo design☆20Updated 3 years ago
- ChEMBL Similarity Search☆17Updated 5 years ago
- GaudiMM: A modular optimization platform for molecular design☆32Updated last year
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last week
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆22Updated last year
- ☆10Updated 4 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- Code available for the quantitative pharmacophores☆12Updated 3 years ago
- Cloud-based Drug Binding Structure Prediction☆45Updated last month
- PyMOL Plugin for displaying polar contacts☆18Updated 6 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated this week
- ☆37Updated 3 years ago