alxfgh Goto Github PK

ac-bo-hackathon.github.io

awesome-chemistry-datasets

overview of datasets for ML in chemistry

bo-de-novo-drug-design-docking

"Bayesian Optimized De Novo Drug Design for Selective Kinase Targeting" Project for AC-BO-Hackathon

bodock

chemnlp

ChemNLP project

deep-rl-class

This repo contain the syllabus of the Hugging Face Deep Reinforcement Learning Class.

gold-silver-alloy-dielectric-model

gold-silver-analytic-model-for-the-dielectric-function

half-unet

PyTorch Implementation of "Half-UNet: A Simplified U-Net Architecture for Medical Image Segmentation"

half-unet-for-medical-image-segmentation

hdf5cleaner

large-language-models-in-chemistry

Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natural language to chemical modeling and property prediction

litmatter

Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.

llm-guided-ga

ml-ai-in-chemistry

Resources for Chemical Computer Science: Molecular Modeling, Machine Learning, Deep Learning & Artificial Intelligence

msdss

nanoparticleanalyzer

oneko.js-react

oneko.js for React

regression-transformer

Regression Transformer (2023; Nature Machine Intelligence)

scikit-learn

scikit-learn: machine learning in Python

uwunet_plasmonic

Code for U-within-U-Net deep learning on hyperspectral images

zerocostdl4mic

ZeroCostDL4Mic: A Google Colab based no-cost toolbox to explore Deep-Learning in Microscopy