XinhaoLi74

SmilesPE

SMILES Pair Encoding: A data-driven substructure representation of chemicals

MolPMoFiT

Hierarchical-QSAR-Modeling

DL-in-Chemistry

Cheminformatics-Notebooks

AIDM-2020-Posters

Accepted Posters to present at the MIT's AI-powered Drug Discovery and Manufacturing Conference 2020.

CryptoChem

blog

A blog website powered by Fastpages

molds

A collection of molecule datasets for benchmarking machine learning methods.

package-Streamlit

Bokeh-Interactive-Plots

jupyterplot

Create real-time plots in Jupyter Notebooks.

Blackboxes

bokeh

Interactive Data Visualization in the browser, from Python

cduvallet.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

DL4MolecularGraph

Literature of deep learning for molecular graphs

Genomic-ULMFiT

ULMFiT for Genomic Sequence Data

interactive_plots

Interactive plots with chemical structures

Jupyter_widgets

MAT

The official implementation of the Molecule Attention Transformer.

mol2vec

Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

nlp_newsletter

📰Natural language processing (NLP) newsletter

Notebook_to_scrpit

My attempt at reproducing the paper Deep Autoencoding Gaussian Mixture Model for Unsupervised Anomaly Detection

Notes_For_Myself

tokenizers

💥Fast State-of-the-Art Tokenizers optimized for Research and Production

XinhaoLi74.github.io

Personal Website