learningmatter-mit / GenZProt
☆27Updated last year
Alternatives and similar repositories for GenZProt
Users that are interested in GenZProt are comparing it to the libraries listed below
Sorting:
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆19Updated last week
- ☆79Updated last year
- Pose checks for 3D Structure-based Drug Design methods☆81Updated 6 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆42Updated 5 months ago
- Convert coarse-grained protein structure to all-atom model☆37Updated 10 months ago
- Flow-matching for coarse graining of miniproteins.☆18Updated 2 years ago
- A GFlowNet with a chemical synthesis action space.☆51Updated 3 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆37Updated 2 weeks ago
- ☆40Updated last year
- TMol☆31Updated last week
- EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency☆13Updated last year
- ☆37Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 4 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆46Updated this week
- Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics☆81Updated 3 months ago
- Geometric super-resolution for molecular geometries☆40Updated 2 years ago
- ☆29Updated last year
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆30Updated 11 months ago
- A benchmark for 3D biomolecular structure prediction models☆57Updated this week
- ☆68Updated 10 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆97Updated 9 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆63Updated 3 weeks ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆63Updated 5 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆32Updated 11 months ago
- Generate intrinsically disordered peptide conformations via machine learning☆20Updated 11 months ago
- An open-source platform for developing protein models beyond AlphaFold.☆11Updated last month
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- IDPFold test version☆19Updated 8 months ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆29Updated last year