uw-ipd / tmolLinks
TMol
☆49Updated this week
Alternatives and similar repositories for tmol
Users that are interested in tmol are comparing it to the libraries listed below
Sorting:
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆53Updated 5 months ago
- A benchmark for 3D biomolecular structure prediction models☆67Updated 7 months ago
- It's a package for evaluation of predicted poses, right?☆72Updated last month
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated 2 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆80Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated 2 weeks ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆57Updated 6 months ago
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 9 months ago
- protein structure generation with sparse all-atom denoising models☆50Updated 2 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆112Updated last week
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆51Updated 4 months ago
- Structure prediction of alternative protein conformations☆80Updated 9 months ago
- ☆78Updated last year
- Implementation of Protein Invariant Point Packer (PIPPack)☆35Updated last year
- Sidechain conditioning and modeling for full-atom protein sequence design☆127Updated last month
- ☆69Updated last year
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆96Updated 6 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆52Updated last year
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆89Updated 6 months ago
- ☆78Updated last month
- Official repository for DiffPepBuilder and DiffPepDock tools☆110Updated last month
- Convert coarse-grained protein structure to all-atom model☆47Updated 6 months ago
- mdml: Deep Learning for Molecular Simulations☆48Updated 6 months ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆30Updated 3 years ago
- Predicting mutational effects on protein binding from folding energy. ICML 2025.☆35Updated 4 months ago
- A benchmark dataset for protein-ligand co-folding prediction☆41Updated 4 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- ☆47Updated 7 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- protein conformational spaces meet machine learning☆49Updated last week