dgattiwsu / MD_without_moleculesLinks
Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks
☆11Updated 3 years ago
Alternatives and similar repositories for MD_without_molecules
Users that are interested in MD_without_molecules are comparing it to the libraries listed below
Sorting:
- ☆25Updated 6 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated this week
- Protein Sequence Evolutionary Information Language Model☆13Updated 2 years ago
- Deep generative modeling of protein structural ensembles☆29Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- DyNoPy☆11Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- ☆12Updated 2 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆17Updated 10 months ago
- ☆42Updated 3 months ago
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆33Updated last year
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆24Updated last year
- Cryptic pocket prediction using AlphaFold 2☆24Updated 2 years ago
- Neural Iterative Selection-Expansion using LASErMPNN and Boltz-2x☆28Updated this week
- Code for ApoDock☆21Updated 7 months ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Updated 3 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆43Updated 5 months ago
- ☆14Updated 5 months ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆13Updated 2 years ago
- ☆15Updated 7 months ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆17Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated last month
- Modelling protein conformational landscape with Alphafold☆54Updated 2 months ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆22Updated 8 months ago
- ☆52Updated 6 months ago
- ☆25Updated 3 months ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆13Updated this week
- ☆15Updated last month
- ☆10Updated last week
- ☆15Updated last year