learningmatter-mit / GenZProtLinks
☆27Updated last year
Alternatives and similar repositories for GenZProt
Users that are interested in GenZProt are comparing it to the libraries listed below
Sorting:
- Pose checks for 3D Structure-based Drug Design methods☆84Updated 8 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated 11 months ago
- A GFlowNet with a chemical synthesis action space.☆76Updated 5 months ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆85Updated 5 months ago
- ☆78Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆43Updated 3 weeks ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆43Updated 7 months ago
- ☆44Updated last year
- Flow-matching for coarse graining of miniproteins.☆18Updated 2 years ago
- Multi-domain Distribution Learning for De Novo Drug Design☆97Updated 3 months ago
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆19Updated 2 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆111Updated this week
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 6 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆78Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆49Updated last week
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆78Updated last year
- ☆91Updated 9 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆95Updated 3 months ago
- ☆13Updated last year
- ☆29Updated 2 years ago
- A benchmark for 3D biomolecular structure prediction models☆59Updated 2 months ago
- FrameDiPT: an SE(3) diffusion model for protein structure inpainting☆56Updated last year
- Convert coarse-grained protein structure to all-atom model☆40Updated last month
- TMol☆39Updated this week
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆47Updated last year
- ☆65Updated last year
- Geometric super-resolution for molecular geometries☆41Updated 3 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆65Updated 7 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆72Updated this week