ALL Molecular ML papers from ICLR'25.
☆46Mar 18, 2025Updated last year
Alternatives and similar repositories for Awesome-MoML-ICLR25
Users that are interested in Awesome-MoML-ICLR25 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ALL Molecular ML papers from NeurIPS'24.☆67Nov 16, 2024Updated last year
- All graph/GNN papers accepted at NeurIPS 2024.☆92Nov 16, 2024Updated last year
- Software package for spin dynamics☆15Updated this week
- It is a comprehensive resource hub compiling all graph papers accepted at the International Conference on Learning Representations (ICLR)…☆101Nov 16, 2024Updated last year
- Calculate the RMSD between two antibody structure (including nanobody and antibody).☆11May 19, 2023Updated 3 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.
- This repository is the implementation of the model COLA from paper: Graph Contrastive Learning Meets Graph Meta Learning: A Unified Metho…☆12Aug 22, 2024Updated 2 years ago
- ☆49Jul 3, 2025Updated last year
- Minimal AlphaFold☆56Aug 24, 2024Updated 2 years ago
- ☆43Oct 8, 2026Updated last week
- Constrained Diffusion with Trust Sampling☆12Dec 18, 2024Updated last year
- Massively-Parallel Natural Extension of Reference Frame☆35Jan 18, 2023Updated 3 years ago
- Structure-Informed Protein Language Model☆40Feb 15, 2024Updated 2 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- Learning Hamiltonian Flow Maps via Mean Flow Consistency for Large-Timestep Molecular Dynamics☆43Jul 4, 2026Updated 3 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆12Aug 29, 2024Updated 2 years ago
- [ICML2023] Graph Ladling: Shockingly Simple Parallel GNN Training without Intermediate Communication. Ajay Jaiswal, Shiwei Liu, Tianlong …☆13Aug 24, 2023Updated 3 years ago
- Open source code for AlphaFold.☆18Jun 9, 2024Updated 2 years ago
- A Self-feedback Knowledge Elicitation Approach for Chemical Reaction Predictions☆11Aug 15, 2025Updated last year
- Versatile human antibody sequence design☆22Apr 12, 2026Updated 6 months ago
- Metrics to evaluate distributional coverage of generative models of protein structures.☆22Aug 13, 2025Updated last year
- Code for the paper "Exploiting Pretrained Biochemical Language Models for Targeted Drug Design", to appear in Bioinformatics, Proceedings…☆18Feb 26, 2024Updated 2 years ago
- ☆16Nov 5, 2024Updated last year
- [ICML 2023] Meta-SAGE: Scale Meta-Learning Scheduled Adaptation with Guided Exploration for Mitigating Scale Shift on Combinatorial Optim…☆11Dec 19, 2023Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆10Jul 2, 2024Updated 2 years ago
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 3 years ago
- Supervised Training of Conditional Monge Maps☆20Oct 30, 2023Updated 2 years ago
- Resources for the BioML Challenge 2024: Bits to Binders☆20Aug 24, 2024Updated 2 years ago
- ☆13Apr 18, 2022Updated 4 years ago
- Official implementation of "Learning the language of protein structures"☆42Mar 18, 2026Updated 7 months ago
- ☆18Jan 29, 2023Updated 3 years ago
- Repository for the 2023 ELLIS Machine Learning for Molecules Discovery workshop☆18Dec 7, 2023Updated 2 years ago
- ☆15Aug 10, 2026Updated 2 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆86May 27, 2026Updated 4 months ago
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆27Apr 17, 2025Updated last year
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆15Sep 4, 2025Updated last year
- ☆12Dec 4, 2023Updated 2 years ago
- ☆13Sep 25, 2022Updated 4 years ago
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- Repository for the paper A generative artificial intelligence approach for antibiotic optimization☆21Mar 26, 2026Updated 6 months ago