Bindwell / PLAPTLinks
Codebase and CLI for PLAPT: A state-of-the-art protein-ligand binding affinity model for drug discovery
☆111Updated 10 months ago
Alternatives and similar repositories for PLAPT
Users that are interested in PLAPT are comparing it to the libraries listed below
Sorting:
- Affinity Protein-Protein Transformers—State of the art protein-protein binding affinity in seconds!☆105Updated 11 months ago
- COATI: multi-modal contrastive pre-training for representing and traversing chemical space☆118Updated last year
- AI Agents for Enterprise Software Automation☆44Updated last year
- A lightweight, fast pocket finder in Python.☆79Updated 2 weeks ago
- A geometry-complete diffusion generative model (GCDM) for structure-based drug design (Nature CommsChem)☆23Updated last year
- Recipes for AI agents that use Asteroid to be safe and reliable. Want yours featured? Submit a PR!☆49Updated 9 months ago
- A single model for all your molecular design tasks☆168Updated 4 months ago
- A foundational package for molecular predictive modelling☆94Updated last year
- Integrated physics-based and ligand-based modeling.☆69Updated 3 months ago
- Foster the development of impactful AI models in drug discovery.☆139Updated 5 months ago
- Plugin for folding sequences directly in PyMOL☆115Updated 6 months ago
- Multi-domain Distribution Learning for De Novo Drug Design☆138Updated last week
- ☆58Updated 10 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆205Updated last month
- ☆67Updated 9 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆87Updated 6 months ago
- ☆92Updated last year
- ☆76Updated 8 months ago
- ☆13Updated last month
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- A1Base NextJS template☆66Updated last week
- ☆40Updated 3 weeks ago
- Recursion's molecular foundation model☆66Updated 8 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆86Updated last week
- ☆64Updated 7 months ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆67Updated 3 months ago
- Introduction to cyclic peptide simulations and our group's protocols.☆15Updated 2 years ago
- Protein-Ligand Benchmark Dataset for Free Energy Calculations☆214Updated last year
- PandaDock: A Physics-Based Molecular Docking using Python☆94Updated last month
- ☆51Updated 10 months ago