ai4science topic
3D-EMGP
[AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
EGHN
[NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
geometric-gnns
List of Geometric GNNs for 3D atomic systems
GMN
[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
ChemLLMBench
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
Multimodal-Math-Pretraining
[ICLR 2024 Spotlight] This is the official code for the paper "SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-training"
k2
Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024
ChatCell
ChatCell: Facilitating Single-Cell Analysis with Natural Language
LLM4Chem
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"