lhm30 / PIDGINv2Links
PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
☆31Updated 6 years ago
Alternatives and similar repositories for PIDGINv2
Users that are interested in PIDGINv2 are comparing it to the libraries listed below
Sorting:
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- ☆31Updated 5 months ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated 2 years ago
- PIDGINv4☆12Updated 3 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Updated 8 years ago
- pains filter using rdktit☆11Updated 10 years ago
- ☆17Updated 2 years ago
- ☆52Updated 2 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- The code for the QuickVina homepage.☆34Updated 2 years ago
- RF-Score-VS binary☆31Updated 6 years ago
- Extended Connectivity Interaction Features☆31Updated 4 years ago
- ☆33Updated last year
- RDKit code for the JCIM article☆17Updated 12 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- Remove effects of truncated side-products from read count data of a DNA-encoded library.☆28Updated 5 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- PKSmart: Predicting PK properties using Chemical Structures☆15Updated last week
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Updated 3 years ago
- ☆16Updated 5 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- Tools for molecular Docking☆26Updated 2 months ago
- A script using RDKit to reproduce the BBB score reported by Gupta.☆11Updated 4 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year