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lunyang's Projects

machine-learning-workflow-with-python icon machine-learning-workflow-with-python

This is a comprehensive ML techniques with python: Define the Problem- Specify Inputs & Outputs- Data Collection- Exploratory data analysis -Data Preprocessing- Model Design- Training- Evaluation

machine_learning_refined icon machine_learning_refined

Notes, examples, and Python demos for the textbook "Machine Learning Refined" (published by Cambridge University Press).

meditron icon meditron

Meditron is a suite of open-source medical Large Language Models (LLMs).

mlapp icon mlapp

Create machine learning application with streamlit

molgpka icon molgpka

The graph-convolutional neural network for pka prediction

multiobj-rationale icon multiobj-rationale

Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)

neuralsym icon neuralsym

Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication

olmo icon olmo

Modeling, training, eval, and inference code for OLMo

pdfgpt icon pdfgpt

PDF GPT allows you to chat with the contents of your PDF file by using GPT capabilities. The most effective open source solution to turn your pdf files in a chatbot!

polybert icon polybert

polyBERT: A chemical language model to enable fully machine-driven ultrafast polymer informatics

pyg_botan icon pyg_botan

BOnd TArgeting Network for predicting slow relaxation in molecular dynamics

pylibgen icon pylibgen

Python interface to Library Genesis. DEAD/UNMAINTAINED.

rest-api-doc icon rest-api-doc

Documentation for Crossref's REST API. Issues moved to https://gitlab.com/crossref/issues

retroexplainer icon retroexplainer

RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative interpretability

rxnmapper icon rxnmapper

RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).

tpot icon tpot

A Python Automated Machine Learning tool that optimizes machine learning pipelines using genetic programming.

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