molecular-optimization

There are 0 repository under molecular-optimization topic.

MolecularAI / deep-molecular-optimization
Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
transformer seq2seq molecular-optimization multi-property-optimization
Language:Python 139
zjunlp / MolGen
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
language-model molecular-generation pre-trained-language-models pre-trained-model molgen molecule molecular-optimization selfies targeted-molecular-generation pre-training generation multitask huggingface pytorch iclr2024
Language:Python 106
Argenomic
Jonas-Verhellen / Argenomic
Argenomic is a quality-diversity (or illumination) algorithm for optimization of small organic molecules.
generative-model genetic-algorithm illumination map-elites molecular-optimization quality-diversity soft-robotics
Language:Python 16
kanojikajino / ml4chem
「機械学習による分子最適化」のサポートページ
ai4science machine-learning ml4science molecular-optimization
Language:Python 6
viktor-platform / sample-molecule-visualization
This sample app shows off some basic chemical operations that are possible in VIKTOR
geometry-optimization molecular-optimization viktor-ai visualization
Language:Python 2