shuan4638

Luck-talent-or-vision

A simple python reproduction and modification of the 2022 Ig Nobel Prize for Economics "Which Is More Important: Talent or Luck?"

mcs_sim

A structural molecular similarity metric based on fast MCS estimation

MCdropout-CYP450Classifcation

Use Monte-Carlo dropout to quantify the uncertainty and excludes the uncertain prediction against CYP450 inhibition dataset.

ChemSearchDQN

Chemical DQN used for learning real world dataset

PeptideTempVAE

Coupling softmax with temperature factor on VAE to design anti-microbial peptides (AMPs).

Fingerprint-Passing-nerial-network-FPNN-

Use embedded Morgan Fingerprints to build message passing neural network for molecule property prediction.

LocalDiff

A LocalRetro-like DNN for activation energy prediction for AMSG member training

pBERT-DTI

dgl_tutorial

DGL tutorial for ML4Chemistry beginners

zai-zai-checker

在再糾察隊

RetroComposer

shuan4638

Config files for my GitHub profile.

shuan4638.github.io

ubuntu-Nginx

Anaconda-Cron-Git-Jupyter-Nginx-Physionet-Service-Vim-Zsh

Yuanger

yuangerinterview