uw-ipd / tmol
TMol
☆31Updated this week
Related projects ⓘ
Alternatives and complementary repositories for tmol
- ☆77Updated 8 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆30Updated 5 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated last month
- ☆62Updated 4 months ago
- ☆31Updated 7 months ago
- Official repository of EnzymeFlow☆59Updated last week
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆33Updated 2 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆46Updated 3 weeks ago
- Official repository for Target-Specific De Novo Peptide Binder Design with DiffPepBuilder☆62Updated this week
- ☆28Updated last year
- ☆42Updated 4 months ago
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆70Updated last week
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆92Updated last week
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆52Updated 3 weeks ago
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆10Updated 5 months ago
- ☆70Updated 7 months ago
- DLPacker☆28Updated 2 months ago
- ☆26Updated 8 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆25Updated 8 months ago
- Structure prediction of alternative protein conformations☆71Updated 2 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated 9 months ago
- Convert coarse-grained protein structure to all-atom model☆35Updated 5 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆65Updated 8 months ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆25Updated 2 years ago
- Structure-conditioned masked language modeling for protein sequence design☆60Updated 9 months ago
- FrameDiPT: an SE(3) diffusion model for protein structure inpainting☆52Updated 10 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 7 months ago
- ☆95Updated last year
- Calculation of interatomic interactions in molecular structures☆79Updated 2 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆37Updated 6 months ago