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☆93Updated last year
- A GFlowNet with a chemical synthesis action space.☆114Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆104Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆56Updated last month
- ☆80Updated last year
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆20Updated 8 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Updated 7 months ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆51Updated 3 years ago
- ☆61Updated 6 months ago
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆91Updated last year
- ☆29Updated 2 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆111Updated 2 years ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆179Updated last month
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆52Updated last month
- Convert coarse-grained protein structure to all-atom model☆49Updated 7 months ago
- Flow-matching for coarse graining of miniproteins.☆19Updated 3 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆68Updated last year
- Denoising diffusion probabilistic models for replica exchange☆25Updated 3 years ago
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆74Updated 2 years ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Updated 2 years ago
- Multi-domain Distribution Learning for De Novo Drug Design☆138Updated last week
- Geometric super-resolution for molecular geometries☆42Updated 3 years ago
- Efficient 3D molecular generation with flow-matching and Semla☆52Updated 6 months ago
- ☆70Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated last week
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆50Updated 2 years ago
- ☆32Updated last year
- A benchmark for 3D biomolecular structure prediction models☆69Updated 8 months ago
- Benchmarking code accompanying the release of `bioemu`☆53Updated 2 months ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆81Updated last year