☆42Sep 11, 2026Updated last month
Alternatives and similar repositories for ml-mcf
Users that are interested in ml-mcf are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyT…☆14Jul 26, 2023Updated 3 years ago
- ☆17Oct 8, 2026Updated 3 weeks ago
- Code to reproduce the results in "Conditional score-based diffusion models for Bayesian inference in infinite dimensions", NeurIPS 2023☆13Oct 18, 2025Updated last year
- ☆10Apr 19, 2026Updated 6 months ago
- The Nutmeg machine learning models☆11Jan 23, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Official implementation for paper: Sampling 3D Molecular Conformers with Diffusion Transformers (NeurIPS 2025)☆21Feb 3, 2026Updated 8 months ago
- Pytorch Implmentation of Diffusion Bridges in Function Spaces (DBFS), NeurIPS 2024☆10Nov 21, 2024Updated last year
- Deep Residual Learning for Molecular Force Fields☆13Aug 12, 2026Updated 2 months ago
- ☆37Oct 9, 2025Updated last year
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆70Jul 29, 2025Updated last year
- Code for OXtal, an all-atom diffusion model for molecular crystal structure prediction.☆15Jun 23, 2026Updated 4 months ago
- Garnet biomolecular force field☆13Sep 18, 2026Updated last month
- ☆19Updated this week
- Public FSM implementation with support for ML-based potential energy surfaces☆17Sep 15, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- converting 3d molecular representations to 2d☆14Sep 10, 2026Updated last month
- Fast, Accurate, Lightweight Python library to make State of the Art Embedding☆20Jan 25, 2026Updated 9 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆108Jul 30, 2024Updated 2 years ago
- ☆81Dec 15, 2025Updated 10 months ago
- ☆20May 21, 2026Updated 5 months ago
- ☆21Oct 7, 2026Updated 3 weeks ago
- Agent-driven molecular optimization over chemical space, using Rowan for property scoring and RDKit for constraint-aware candidate design…☆25Aug 18, 2026Updated 2 months ago
- Code for paper "Mapping the combinatorial coding between olfactory receptors and perception with deep learning"☆19Oct 6, 2026Updated 3 weeks ago
- Ab initio quantum chemistry in Rust from scratch☆17Oct 22, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Fast continuum solvation based on domain decomposition☆33Oct 6, 2026Updated 3 weeks ago
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆23Aug 15, 2025Updated last year
- Code for the paper Progressive Inference-Time Annealing of Diffusion Models for Sampling from Boltzmann Densities.☆38Sep 5, 2026Updated last month
- Deep Generalized Schrödinger Bridge, NeurIPS 2022 Oral☆53Oct 28, 2022Updated 4 years ago
- Code for the paper Iterated Denoising Energy Matching for Sampling from Boltzmann Densities.☆73Jun 5, 2026Updated 4 months ago
- ☆16May 12, 2026Updated 5 months ago
- Geometric Generative Model Tutorial at LoG 2024☆28Nov 27, 2024Updated last year
- Code for the paper: Probabilistic Forecasting with Stochastic Interpolants and Follmer Processes (generative AI for forecasting)☆20May 17, 2026Updated 5 months ago
- Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.☆21Nov 16, 2022Updated 3 years ago
- 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.
- Official code release of Hilbert Diffusion Model (PyTorch ver.)☆21Aug 17, 2024Updated 2 years ago
- A Python tool for creating and downsampling chemical pointclouds.☆14Sep 10, 2026Updated last month
- ☆18Sep 27, 2023Updated 3 years ago
- ☆27Jul 30, 2025Updated last year
- Protein Ligand INteraction Dataset and Evaluation Resource☆316Updated this week
- TrDesign w/ Partial Hallucination support☆10Apr 29, 2022Updated 4 years ago
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆28Aug 28, 2025Updated last year