lunyang Goto Github PK

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_code_implementation

Mathematical derivation and pure Python code implementation of machine learning algorithms.

machine_learning_refined

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

meditron

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

ml-scratch-python

机器学习算法及python代码实现

mlapp

Create machine learning application with streamlit

moleculargnn_3dstructure

Graph neural network (GNN) for molecular property prediction (3D structure)

molgpka

The graph-convolutional neural network for pka prediction

multiobj-rationale

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

neuralsym

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

numpy-ml

Machine learning, in numpy

olmo

Modeling, training, eval, and inference code for OLMo

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

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

pycaret

pyg_botan

BOnd TArgeting Network for predicting slow relaxation in molecular dynamics

pylibgen

Python interface to Library Genesis. DEAD/UNMAINTAINED.

reinvent-scaffold-decorator

A SMILES-based encoder-decoder architecture for molecular scaffold decoration

rest-api-doc

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

retroexplainer

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

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).

saxs_reconstruction

skillshare-dl

spectroscopy-deep-learning

Spectroscopy with Deep Learning

streamlit-example

Example Streamlit app that you can fork to test out share.streamlit.io

tpot

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