Tag. python-armour lua topology-optimization neural-network natural-language-processing software

2 Repositories

Latest Python Libraries

Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.

Evidential Deep Learning for Guided Molecular Property Prediction and Discovery Ava Soleimany*, Alexander Amini*, Samuel Goldman*, Daniela Rus, Sangee

Alexander Amini 75 Dec 15, 2022
A pythonic interface to high-throughput virtual screening software
A pythonic interface to high-throughput virtual screening software

pyscreener A pythonic interface to high-throughput virtual screening software Overview This repository contains the source of pyscreener, both a libra

56 Dec 15, 2022