patrickbryant1 / Umol
Protein-ligand structure prediction
☆210Updated 6 months ago
Alternatives and similar repositories for Umol:
Users that are interested in Umol are comparing it to the libraries listed below
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆279Updated 9 months ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆246Updated 3 weeks ago
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆143Updated this week
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆224Updated 9 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆145Updated 5 months ago
- In silico directed evolution of peptide binders with AlphaFold☆145Updated 3 weeks ago
- Masif seed paper repository☆143Updated last year
- Protein Ligand INteraction Dataset and Evaluation Resource☆203Updated this week
- Diffusion-based all-atom protein generative model.☆180Updated this week
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆197Updated last year
- ☆108Updated 4 months ago
- Code for ColabDock paper☆135Updated 4 months ago
- Predict the structure of immune receptor proteins☆126Updated 3 weeks ago
- ☆278Updated 2 weeks ago
- ☆119Updated last year
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆100Updated 3 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆140Updated last month
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆147Updated this week
- A compilation of deep learning methods for protein design☆96Updated 2 years ago
- Protein folding in Pymol☆104Updated last month
- Geometric deep learning method to predict protein binding interfaces from a protein structure.☆120Updated last year
- Plausibility checks for generated molecule poses.☆254Updated 3 weeks ago
- A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…☆163Updated 2 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆168Updated last month
- Interface for AutoDock, molecule parameterization☆223Updated 3 weeks ago
- Protein hallucination and inpainting with RoseTTAFold☆251Updated last year
- ☆107Updated 3 months ago
- ☆185Updated 3 months ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆278Updated 3 weeks ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆301Updated 3 months ago