Biology Tools
Software libraries for drug discovery and computational biology.
Deep Learning for Life Sciences
| Tool | Description | Link |
|---|---|---|
| DeepChem | Comprehensive ML library for drug discovery | deepchem.io |
| DGL-LifeSci | GNN library for life science applications | github |
| Chemprop | Message passing neural networks | github |
Protein Structure
| Tool | Description | Link |
|---|---|---|
| AlphaFold | Protein structure prediction | alphafold.ebi.ac.uk |
| ESMFold | Fast protein structure prediction | github |
| PyMOL | Molecular visualization | pymol.org |
Drug Discovery Platforms
| Tool | Description | Link |
|---|---|---|
| RDKit | Core cheminformatics (also used in drug discovery) | rdkit.org |
| Open Drug Discovery Toolkit | ADMET prediction | github |
Getting Started
conda create -n bio python=3.10
conda activate bio
# Core tools
pip install deepchem rdkit
# For protein work
pip install biopython