Mixed continous/categorical flow-matching model for de novo molecule generation.
☆182Dec 19, 2025Updated 2 months ago
Alternatives and similar repositories for FlowMol
Users that are interested in FlowMol are comparing it to the libraries listed below
Sorting:
- Efficient 3D molecular generation with flow-matching and Semla☆54Jul 22, 2025Updated 7 months ago
- Multi-domain Distribution Learning for De Novo Drug Design☆143Jan 26, 2026Updated last month
- A Euclidean diffusion model for structure-based drug design.☆486Jun 25, 2025Updated 8 months ago
- Official repository for MolCRAFT series☆144Oct 27, 2025Updated 4 months ago
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆44May 22, 2025Updated 9 months ago
- ☆39Jun 24, 2024Updated last year
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆107Apr 16, 2025Updated 10 months ago
- Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design☆93Oct 15, 2025Updated 4 months ago
- The official repository of Uni-pKa☆93Apr 1, 2025Updated 11 months ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆274Dec 10, 2024Updated last year
- ☆148Jul 31, 2025Updated 7 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆19Dec 22, 2024Updated last year
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆28Dec 3, 2024Updated last year
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆230May 30, 2025Updated 9 months ago
- Awesome papers related to generative molecular modeling and design.☆341Jul 20, 2025Updated 7 months ago
- ☆13Dec 5, 2024Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆105Jul 30, 2024Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆61Jan 30, 2026Updated last month
- Plugin for folding sequences directly in PyMOL☆27Aug 5, 2025Updated 6 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆170Feb 6, 2026Updated 3 weeks ago
- ☆16Oct 26, 2024Updated last year
- Protein representation and design under a single training scheme☆24Updated this week
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Oct 17, 2023Updated 2 years ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆516Oct 21, 2025Updated 4 months ago
- ☆41Mar 26, 2025Updated 11 months ago
- ☆131May 7, 2024Updated last year
- Fast protein backbone generation with SE(3) flow matching.☆314Jul 19, 2024Updated last year
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆208Jan 6, 2026Updated last month
- ☆549Jul 10, 2022Updated 3 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆369Apr 17, 2024Updated last year
- Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation☆17Oct 31, 2025Updated 4 months ago
- ☆57Feb 17, 2026Updated last week
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆111Oct 31, 2024Updated last year
- an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets☆153May 14, 2025Updated 9 months ago
- Protein structure diffusion model for unconditional protein generation and motif scaffolding☆188Jun 24, 2024Updated last year
- ☆63Nov 7, 2025Updated 3 months ago
- ☆25Dec 6, 2025Updated 2 months ago
- Protein Structure Analysis☆64Sep 30, 2025Updated 5 months ago
- ☆40Jun 3, 2025Updated 9 months ago