Jiale Shi's repositories
shijiale0609.github.io
Dr. Jiale Shi's academic website
atomistic_elastics
In Silico Measurement of Elastic Moduli of Nematic Liquid Crystals
paper-reading
深度学习经典、新论文逐段精读
Biodegradability_Prediction_QSAR_GCN
Code for "A Comparative Study of the Performance for Predicting Biodegradability Classification: The Quantitative Structure–Activity Relationship Model vs the Graph Convolutional Network" (https://doi.org/10.1021/acsomega.1c06274)
CBE60499
Nonlinear and Stochastic Optimization. https://ndcbe.github.io/CBE60499/
Chem-prop-pred
Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.
DS5001-2024-01-R
Exploratory Text Analytics
Eunomia
Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts
exsclaim
A toolkit for the automatic construction of self-labeled materials imaging datasets from scientific literature
NLP-Tutorials
Simple implementations of NLP models. Tutorials are written in Chinese on my website https://mofanpy.com
ontogpt
LLM-based ontological extraction tools, including SPIRES
openmm-torch
OpenMM plugin to define forces with neural networks
Polymer-Graph-Similarity
Quantifying Pairwise Chemical Similarity for Polymers
PolymerPhysicsHub
PolymerPhysicsHub
scipy
SciPy library main repository
SMiPoly
rule-based virtual polymer library generator
TypeChat
TypeChat is a library that makes it easy to build natural language interfaces using types.
UnlimitedGPT
An unofficial Python wrapper for OpenAI's ChatGPT API