Graphormer is a general-purpose deep learning backbone for molecular modeling.
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Updated
Jun 7, 2024 - Python
Graphormer is a general-purpose deep learning backbone for molecular modeling.
A Curated List of Language Models in Scientific Domains
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.
Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
Recent advancements propelled by large language models (LLMs), encompassing an array of domains including Vision, Audio, Agent, Robotics, and Fundamental Sciences such as Mathematics.
A comprehesive survey about foundation models for weather and cliamte data understanding.
List of Geometric GNNs for 3D atomic systems
[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
Must-read papers on NLP for science.
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
ChatCell: Facilitating Single-Cell Analysis with Natural Language
The official code for "TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation"
[NeurIPS 2023] This is the official code for the paper "TPSR: Transformer-based Planning for Symbolic Regression"
[ICLR 2024 Spotlight] This is the official code for the paper "SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-training"
A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai
A curated list of awesome AI and Bioinformatics.
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