jrash / chemmodlab
chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models
☆16Updated last year
Alternatives and similar repositories for chemmodlab:
Users that are interested in chemmodlab are comparing it to the libraries listed below
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 2 years ago
- ☆28Updated 11 months ago
- ☆24Updated 3 years ago
- KDS software for Kinase Drug Selectivity☆11Updated last year
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- ☆10Updated last year
- comparing drug classification methods☆19Updated 5 years ago
- ☆10Updated 6 years ago
- a collection of colabs useful for molecular biology☆31Updated last year
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆19Updated 3 years ago
- A unified and modular interface to homology modelling software☆10Updated last year
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 4 years ago
- Computational Analysis of Novel Drug Opportunities☆36Updated 2 months ago
- Code available for the quantitative pharmacophores☆12Updated 2 years ago
- PIDGINv4☆10Updated 3 years ago
- ☆16Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Peptide library design☆23Updated 4 years ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- Benchmark interpretation of QSAR models☆15Updated 2 years ago
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- ☆16Updated 5 years ago
- Generate Dose-Response Curves in Python☆9Updated 3 months ago
- ☆8Updated 6 years ago
- Target prediction☆12Updated 4 years ago
- Model-based Analysis of Protein Degradability☆10Updated 3 years ago
- ☆14Updated 2 years ago
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)☆23Updated 2 months ago
- MEGADOCK on Google Colaboratory☆16Updated last year
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆16Updated last year