Uncover meaningful structures of latent spaces learned by generative models with flows!
☆48May 10, 2024Updated 2 years ago
Alternatives and similar repositories for ChemFlow
Users that are interested in ChemFlow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- AdaptiveFlow for Ligand Preparation (AFLP)☆10May 27, 2026Updated 5 months ago
- ☆46Dec 8, 2024Updated last year
- Source codes for paper "Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models"☆20Oct 23, 2025Updated last year
- A simplified drug discovery pipeline -- generating SMILE molecular with AlphaSMILES, predicting protein structure with AlphaFold, and che…☆18Aug 13, 2021Updated 5 years ago
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Molecular crystal structure prediction with flow matching and RL☆11Oct 9, 2026Updated 3 weeks ago
- ☆13Jan 25, 2026Updated 9 months ago
- ☆12May 12, 2023Updated 3 years ago
- An object-aware diffusion model for generating chemical reactions☆147May 29, 2024Updated 2 years ago
- Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).☆14Dec 2, 2023Updated 2 years ago
- Source code of MOLLEO☆58Sep 5, 2026Updated last month
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆37May 23, 2024Updated 2 years ago
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆28Aug 28, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- NeurIPS23 "Flow Factorized Representation Learning"☆47Dec 15, 2025Updated 10 months ago
- Atom order in one molecule is made to match that in another☆12Nov 2, 2020Updated 6 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- MolModa provides a secure, accessible environment where users can perform molecular docking entirely in their web browsers.☆23Aug 6, 2026Updated 2 months ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆68Jul 2, 2024Updated 2 years ago
- PEACE: Protomer Enumerator & Automatic Calculator for Energies☆13Oct 16, 2026Updated 2 weeks ago
- ☆16Aug 8, 2025Updated last year
- Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) calculations in protein-protein and protein-ligand systems☆11Mar 30, 2022Updated 4 years ago
- ☆15Jun 25, 2021Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆17Dec 25, 2025Updated 10 months ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆31Feb 20, 2024Updated 2 years ago
- CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions (KDD'25 research track accepted)☆17Aug 6, 2025Updated last year
- ☆15May 15, 2026Updated 5 months ago
- graph generative model for molecule☆42Dec 17, 2019Updated 6 years ago
- ☆13Nov 26, 2024Updated last year
- ☆13Apr 15, 2024Updated 2 years ago
- ☆17Mar 27, 2026Updated 7 months ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Multi-modal conditioning diffusion model for MOFs generation☆43Nov 19, 2025Updated 11 months ago
- ☆63Dec 8, 2024Updated last year
- ☆12Jul 5, 2024Updated 2 years ago
- Official implementation of SketchMol.☆35Feb 14, 2025Updated last year
- ☆43Jun 3, 2025Updated last year
- ☆56Jul 13, 2022Updated 4 years ago
- Genarris is a random molecular crystal structure generator.☆40Oct 4, 2026Updated 3 weeks ago