Efficient 3D molecular generation with flow-matching and Semla
☆59Jul 22, 2025Updated 10 months ago
Alternatives and similar repositories for semla-flow
Users that are interested in semla-flow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆65Jul 29, 2025Updated 9 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆199Apr 26, 2026Updated 3 weeks ago
- ☆107May 7, 2026Updated 2 weeks ago
- An easy (and fast) API for popular 3D molecular datasets!☆50May 3, 2026Updated 3 weeks ago
- QGFN: Controllable Greediness with Action Values - Code☆11May 17, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆24Jul 5, 2023Updated 2 years ago
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆25Aug 28, 2025Updated 8 months ago
- ☆563Jul 10, 2022Updated 3 years ago
- Zero Shot Molecular Generation via Similarity Kernels☆29Aug 27, 2025Updated 8 months ago
- Official Implementation of the Paper "MAGNet: Motif-Agnostic Generation of Molecules from Shapes"☆15Nov 25, 2023Updated 2 years ago
- ☆15Mar 6, 2024Updated 2 years ago
- ☆13Sep 13, 2023Updated 2 years ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆44May 30, 2024Updated last year
- A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.☆21Oct 12, 2025Updated 7 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Molecular Out-Of-Distribution☆41Apr 16, 2025Updated last year
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆412May 17, 2023Updated 3 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated last year
- Research repository to the publication: Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molec…☆14Apr 2, 2024Updated 2 years ago
- ☆19Dec 16, 2024Updated last year
- Geometric Latent Diffusion Models for 3D Molecule Generation☆278Jun 9, 2023Updated 2 years ago
- Official code for "Improved Techniques for Maximum Likelihood Estimation for Diffusion ODEs" (ICML 2023)☆19Jan 27, 2026Updated 3 months ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Oct 29, 2024Updated last year
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆339Jan 10, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Library for normalizing flows and neural flows.☆26May 26, 2022Updated 4 years ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆61Sep 26, 2025Updated 8 months ago
- Generative model for protein binder design for protein and small molecule targets. Combines a pretrained flow-based generative model (bui…☆352Updated this week
- SE(3) Equivariant Flow Matching for Property-Guided Conditional Molecular Generation.☆58Jan 23, 2026Updated 4 months ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Dec 8, 2023Updated 2 years ago
- ☆75Nov 7, 2025Updated 6 months ago
- Generate Simple Pharmacophore Models with RDKit☆46Mar 10, 2026Updated 2 months ago
- ☆10Oct 31, 2023Updated 2 years ago
- EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency☆12Mar 28, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Molecular conformer generation using enhanced sampling methods☆20Jul 28, 2025Updated 9 months ago
- ☆12May 9, 2026Updated 2 weeks ago
- Discrete Flow Matching implemented in PyTorch☆34Mar 23, 2025Updated last year
- Implementation of the Euclidean fast attention (EFA) algorithm☆98Jan 7, 2026Updated 4 months ago
- ☆18May 16, 2026Updated last week
- ☆46Jul 13, 2025Updated 10 months ago
- ☆10Feb 3, 2025Updated last year