ChatMol / molecule-mcpLinks
A model-context-protocol server for molecules.
☆83Updated 6 months ago
Alternatives and similar repositories for molecule-mcp
Users that are interested in molecule-mcp are comparing it to the libraries listed below
Sorting:
- Structure prediction of alternative protein conformations☆80Updated 8 months ago
- Scripts to run AlphaFold3, Boltz-1 and Chai-1 with MMseqs2 MSAs and custom templates.☆94Updated last month
- Efficient manipulation of protein structures in Python☆58Updated last month
- ☆65Updated 6 months ago
- Slides + Iframe = sliFrame☆55Updated 6 months ago
- Plugin for folding sequences directly in PyMOL☆104Updated 2 months ago
- mdml: Deep Learning for Molecular Simulations☆47Updated 5 months ago
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆94Updated 4 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 4 months ago
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆70Updated last year
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆151Updated last week
- ☆78Updated 8 months ago
- Quick mapping of Uniprot sequences to PDB structures☆34Updated 6 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆82Updated 3 weeks ago
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆68Updated 3 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 3 months ago
- A benchmark for 3D biomolecular structure prediction models☆66Updated 5 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆108Updated last week
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆120Updated 11 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆29Updated this week
- Official repository of GENzyme☆55Updated 11 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆76Updated 2 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆151Updated last week
- ☆87Updated last year
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- PandaDock: A Physics-Based Molecular Docking using Python☆80Updated 3 months ago
- Central repository for biomolecular foundation models with shared trainers and pipeline components☆180Updated last month
- Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3☆128Updated 6 months ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆97Updated 2 years ago
- ☆113Updated 2 years ago