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MolecularAI
deep-molecular-optimization MolecularAI
39
142
apache-2.0
7
Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
seq2seq transformer molecular-optimization multi-property-optimization
This repository has been archived (exclude archived)
Created 2020-10-28
9 commits to main branch, last one about a year ago
zjunlp
MolGen zjunlp
11
129
mit
7
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
molgen pytorch selfies iclr2024 molecule multitask generation huggingface pre-training language-model pre-trained-model molecular-generation molecular-optimization pre-trained-language-models targeted-molecular-generation
Created 2023-01-04
74 commits to main branch, last one 5 months ago