QFA

Official PyTorch implementation of PTS/PSRN: Fast and efficient symbolic expression discovery through parallelized tree search. Evaluates millions of expressions simultaneously on GPU with automated subtree reuse.

Graphormer is a general-purpose deep learning backbone for molecular modeling.

:crown: Multivariate exploratory data analysis in Python — PCA, CA, MCA, MFA, FAMD, GPA

A trainable PyTorch reproduction of AlphaFold 3.

GPU-accelerated Factors analysis library and Backtester

A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery (EMNLP'24)

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

多因子指数增强策略/多因子全流程实现

Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024

What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks