lhm30 / PIDGIN
Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)
☆13Updated 7 years ago
Alternatives and similar repositories for PIDGIN:
Users that are interested in PIDGIN are comparing it to the libraries listed below
- 3D diverse conformers generation using rdkit☆23Updated 2 years ago
- PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)☆30Updated 5 years ago
- pains filter using rdktit☆11Updated 9 years ago
- 2018 RDKit UGM☆14Updated 6 years ago
- RDKit code for the JCIM article☆16Updated 11 years ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- faster docking☆19Updated 3 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 2 months ago
- RF-Score-VS binary☆30Updated 6 years ago
- ☆16Updated 5 years ago
- PIDGINv4☆10Updated 2 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 6 years ago
- Code available for the quantitative pharmacophores☆11Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆10Updated 6 years ago
- ☆32Updated 3 years ago
- Generative RNN for molecule de novo design☆18Updated 2 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆26Updated 3 years ago
- ☆16Updated 2 years ago
- ☆16Updated 2 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆23Updated 6 years ago
- ☆9Updated 5 years ago
- ☆13Updated 2 years ago
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆24Updated 7 years ago
- Model Evaluation Toolkit☆25Updated 5 years ago
- AutoCorrelation of Pharmacophore Features☆15Updated last year
- Computational Analysis of Novel Drug Opportunities☆35Updated this week
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Updated 2 years ago
- ☆22Updated 3 years ago