Scientific machine learning (SciML) benchmarks, AI for science, and (differential) equation solvers. Covers Julia, Python (PyTorch, Jax), MATLAB, R
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Updated
Jul 16, 2024 - MATLAB
Scientific machine learning (SciML) benchmarks, AI for science, and (differential) equation solvers. Covers Julia, Python (PyTorch, Jax), MATLAB, R
[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
DrugAssist: A Large Language Model for Molecule Optimization
Generalizing Weather Forecast to Fine-grained Temporal Scales via Physics-AI Hybrid Modeling
🌍 A Collection of Awesome Large Weather Models (LWMs) | AI for Earth (AI4Earth) | AI for Science (AI4Science)
Graph Learning with Generative Pretrained Transformers
SC23 Deep Learning at Scale Tutorial Material
Awesome AI for chemistry papers
This repo provides code and data to reproduce the results in the paper for "Electron Transfer Rules of Minerals under Pressure informed by Machine Learning".
ExtremeCast: Boosting Extreme Value Prediction for Global Weather Forecast
[updating]Chinese-Medical-Dataset 致力于详细整理所有现有中文医学数据集,包括详细的数据汇总、数据示例、下载链接等。
Library for handling atomistic graph datasets focusing on transformer-based implementations, with utilities for training various models, experimenting with different pre-training tasks, and a suite of pre-trained models with huggingface integrations
TAGMol: Target-Aware Gradient-guided Molecule Generation
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