AZCompTox / AZOrangeLinks
AstraZeneca add-ons to Orange.
☆22Updated 5 years ago
Alternatives and similar repositories for AZOrange
Users that are interested in AZOrange are comparing it to the libraries listed below
Sorting:
- Tool for mining structure-property relationships from chemical datasets☆16Updated 10 months ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆26Updated 3 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Updated 7 years ago
- Standardization workflow for QSAR-ready chemical structures pre-treatment. See "release" tab for the latest version and sample files!☆22Updated 11 months ago
- Modeling Tanimoto distributions for RDKit☆17Updated 5 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 7 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 7 months ago
- GaudiMM: A modular optimization platform for molecular design☆32Updated last year
- ☆14Updated 2 years ago
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- pains filter using rdktit☆11Updated 10 years ago
- 2D/3D generation for small compounds☆33Updated 5 years ago
- PCA and normal mode analysis of proteins☆18Updated last year
- MMTSB Tool Set☆32Updated last month
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Updated 3 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated 2 years ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- faster docking☆19Updated 4 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- ☆17Updated 2 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- The code for the QuickVina homepage.☆34Updated 2 years ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- Shape-based alignment of molecules using 3D point-based representation☆22Updated last year
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆54Updated 3 years ago
- ☆16Updated 5 years ago