OpenEye-Contrib / TriphicLinks
Pharmacophore tool based on OpenEye toolkits
☆10Updated 9 years ago
Alternatives and similar repositories for Triphic
Users that are interested in Triphic are comparing it to the libraries listed below
Sorting:
- Program to create tautomers and ionisation states relevant to physiological pH.☆10Updated 8 years ago
- Python API for Pharmer☆12Updated 6 years ago
- ☆14Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆21Updated 5 years ago
- Flexible Artificial Intelligence Docking☆17Updated 5 months ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 7 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- Utilities for working with the RDKit☆20Updated 9 years ago
- ☆27Updated 4 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- ☆32Updated 9 months ago
- ChEMBL Similarity Search☆17Updated 5 years ago
- Shape-based alignment of molecules using 3D point-based representation☆22Updated last year
- Resources for Learning Cheminformatics with the RDKit☆18Updated 6 years ago
- 2018 RDKit UGM☆14Updated 7 years ago
- Consensus pharmacophore for Drug Design☆14Updated 5 months ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Updated 7 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆48Updated last year
- 2D/3D generation for small compounds☆33Updated 5 years ago
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Updated 8 years ago
- ☆16Updated 6 years ago
- ☆13Updated 4 years ago
- PIDGINv4☆13Updated 3 years ago
- Tautomer ratios in solution☆27Updated 4 years ago
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- ☆16Updated 6 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated last week
- Updated version of Silicos-it's shape-based alignment tool☆47Updated 4 months ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- RF-Score-VS binary☆31Updated 7 years ago