microsoft / LLM4ScientificDiscovery
Call for participation in the impact of LLM for scientific discovery
☆67Updated 10 months ago
Alternatives and similar repositories for LLM4ScientificDiscovery:
Users that are interested in LLM4ScientificDiscovery are comparing it to the libraries listed below
- What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks☆138Updated 7 months ago
- ☆16Updated 9 months ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆36Updated 5 months ago
- ☆42Updated 10 months ago
- Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality …☆77Updated 3 months ago
- BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)☆106Updated 5 months ago
- Large language models to generate stable crystals.☆98Updated 8 months ago
- AI for Science☆90Updated 10 months ago
- [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation☆95Updated last year
- The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)☆59Updated 2 months ago
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆52Updated 11 months ago
- ☆80Updated 11 months ago
- ☆49Updated 9 months ago
- ChemReasoner - Catalyst Discovery via Large Language Model-driven Reasoning☆41Updated 3 weeks ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆41Updated last year
- Source code of MOLLEO☆36Updated 8 months ago
- BayesOpt + LIFT☆67Updated 2 weeks ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆117Updated 9 months ago
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆57Updated 9 months ago
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆219Updated 2 months ago
- Must-read papers on NLP for science.☆58Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning☆76Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 11 months ago
- ☆45Updated 2 months ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆39Updated last year
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆70Updated last year
- A new retrieval-based framework for controllable molecule generation.☆47Updated last year
- Research repo for AI aided drug discovery, de novo drug development and related topics☆35Updated 3 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- A repository for the LLM-Prop implementation☆34Updated 10 months ago