compsciencelab / mdCATHLinks
This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user examples are also available.
☆43Updated 7 months ago
Alternatives and similar repositories for mdCATH
Users that are interested in mdCATH are comparing it to the libraries listed below
Sorting:
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 6 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆43Updated 3 weeks ago
- A benchmark for 3D biomolecular structure prediction models☆59Updated 2 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆77Updated last year
- Benchmarking code accompanying the release of `bioemu`☆37Updated last week
- IDPFold test version☆21Updated 10 months ago
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆78Updated last year
- Implementation of Protein Invariant Point Packer (PIPPack)☆32Updated last year
- ☆20Updated 8 months ago
- ☆31Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆60Updated last month
- ☆78Updated last year
- ☆27Updated 7 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆51Updated last month
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆51Updated last week
- A thin wrapper around ProteinMPNN for convenient sampling without having to write out or consume files☆11Updated last year
- Extension of ThermoMPNN for double mutant predictions☆36Updated 2 weeks ago
- Structure-conditioned masked language modeling for protein sequence design☆64Updated last year
- FrameDiPT: an SE(3) diffusion model for protein structure inpainting☆56Updated last year
- A benchmark for comprehensive evaluation on protein structure tokenization methods☆26Updated last month
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆33Updated 8 months ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- Convert coarse-grained protein structure to all-atom model☆40Updated last month
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆58Updated 4 months ago
- All-atom protein generation using latent diffusion, with compositional function and taxonomic prompts. http://bit.ly/plaid-proteins☆98Updated last month
- This repository implements Gibbs sampling with Graph-based Smoothing☆39Updated last year
- Pose checks for 3D Structure-based Drug Design methods☆84Updated 8 months ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆47Updated last month
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆30Updated last year