lianghsun

streamlit-mol-grid-viewer

Using Streamlit's built-in function to easily create a molecule grid viewer, and then you can assemble any content you want.

miniCDDD

Unofficial mini implementation of 'Learning Continuous and Data-Driven Molecular Descriptors' paper. A concise codebase replicating the core architecture as a lightweight reference.

drug_discovery

This project uses a Variational Autoencoder (VAE) to generate SMILES strings for novel compound generation. The VAE model is trained on a dataset of existing chemical compounds and can generate new, valid SMILES strings, which may represent potentially new and useful chemical entities.

MolMolParadise

ord_downloader

Implementing an Open Reaction Database downloader using Streamlit🎈.

press_release_generator

新聞稿產生器

awesome-pretrain-on-molecules

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

cddd

Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.

CDN_Molecule

Automatic prototype based drug generation

hfdrugtutorial

This repository shows how to use the Hugging Face Library for molecule generation.

chat_smiles

ChemFold

ChemFold provides several methods for computing train-validation-test splits, both in federated and non-federated (ordinary) ML settings.

Chemoinformatics-tutos

Compilation of chemoinformatics and machine learning techniques

lianghsun

lianghsun.github.io

master-deep-learning

MolTrans

MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)

rdkit_blog

RDKit related blog posts, notebooks, and data.

SmilesPE

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

tw-law-corpus

Taiwan law corpus, generated by https://github.com/ronnywang/twlaw