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:
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆26Updated 4 years ago
- The code for the QuickVina homepage.☆33Updated 2 years ago
- ☆51Updated 2 years ago
- Remove effects of truncated side-products from read count data of a DNA-encoded library.☆28Updated 5 years ago
- RF-Score-VS binary☆31Updated 6 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 5 years ago
- Extended Connectivity Interaction Features☆30Updated 3 years ago
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Updated 8 years ago
- Structure-informed machine learning for kinase modeling☆56Updated this week
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- ☆16Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- PIDGINv4☆11Updated 3 years ago
- pains filter using rdktit☆11Updated 10 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 6 months ago
- ☆24Updated 2 years ago
- ☆29Updated last year
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated 2 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 9 months ago
- ☆92Updated 5 months ago
- ☆31Updated 3 months ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆20Updated 3 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago