usail-hkust / Awesome-Foundation-Models-for-Scientific-DiscoveryView external linksLinks
[NeurIPS2025] Foundation Models for Scientific Discovery: From Paradigm Enhancement to Paradigm Transition
☆32Oct 21, 2025Updated 3 months ago
Alternatives and similar repositories for Awesome-Foundation-Models-for-Scientific-Discovery
Users that are interested in Awesome-Foundation-Models-for-Scientific-Discovery are comparing it to the libraries listed below
Sorting:
- Official codes of KDD'24 paper "HiFGL: A Hierarchical Framework for Cross-silo Cross-device Federated Graph Learning"☆10Sep 4, 2024Updated last year
- ☆12Feb 19, 2024Updated last year
- JAILJUDGE: A comprehensive evaluation benchmark which includes a wide range of risk scenarios with complex malicious prompts (e.g., synth…☆58Dec 13, 2024Updated last year
- ☆30Oct 18, 2024Updated last year
- Official implementation for ICML24 paper "Irregular Multivariate Time Series Forecasting: A Transformable Patching Graph Neural Networks …☆125Nov 28, 2025Updated 2 months ago
- ☆12Sep 7, 2024Updated last year
- ☆55Jul 14, 2025Updated 7 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- Synthetic Accessibility via Fragment Assembly Generation☆17Feb 1, 2026Updated 2 weeks ago
- Fractional Brownian Motion package☆11Jun 24, 2022Updated 3 years ago
- Bag of Tricks: Benchmarking of Jailbreak Attacks on LLMs. Empirical tricks for LLM Jailbreaking. (NeurIPS 2024)☆163Nov 30, 2024Updated last year
- Meta-Reinforcement Learning with Policy Residual Representation☆11Aug 15, 2019Updated 6 years ago
- C++ PyTorch Examples☆10Aug 18, 2019Updated 6 years ago
- A supervised fine-tuning method for controllable reasoning length in large language models (一种通过有监督微调实现大语言模型思考长度可控的方法)☆10May 8, 2025Updated 9 months ago
- ☆10Oct 28, 2020Updated 5 years ago
- GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data☆25Dec 5, 2025Updated 2 months ago
- Repository for the code associated with the paper Impact of applicability domains by Maxime Langevin et al.☆13Feb 19, 2025Updated 11 months ago
- A collection of Jupyter notebooks as examples of usage of the Fastscape software stack.☆11Sep 27, 2023Updated 2 years ago
- ☆13Apr 15, 2024Updated last year
- ☆13May 15, 2025Updated 9 months ago
- A-Soul-Data Json数据存放☆13Sep 17, 2022Updated 3 years ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆16Sep 13, 2025Updated 5 months ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- ☆13Oct 23, 2024Updated last year
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated 10 months ago
- ☆14Mar 7, 2024Updated last year
- Bokeh extensions to plot molecules easily☆10Jul 14, 2025Updated 7 months ago
- DeepEarth: AI Foundation Model for Planetary Science & Sustainability☆25Jan 28, 2026Updated 2 weeks ago
- ☆12Jun 14, 2025Updated 8 months ago
- ☆13Oct 9, 2024Updated last year
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆15Updated this week
- ☆55Apr 7, 2024Updated last year
- UUKG: Unified Urban Knowledge Graph Dataset for Knowledge-Enhanced Urban Spatiotemporal Prediction☆117Apr 29, 2025Updated 9 months ago
- ☆31Sep 13, 2025Updated 5 months ago
- Caffe++: assemble new features to enhance Caffe☕️☆11Dec 24, 2018Updated 7 years ago
- MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…☆14Jan 22, 2024Updated 2 years ago
- ☆12Aug 16, 2018Updated 7 years ago
- ☆14Jan 22, 2025Updated last year
- Neurocomputing "Deep Multi-Center Learning for Face Alignment"☆12Mar 28, 2020Updated 5 years ago