Created a RNN with LSTM cells to learn patterns from SMILES Strings, and use them to generate new molecular structures.
☆18Mar 18, 2019Updated 7 years ago
Alternatives and similar repositories for Molecular_Generating_RNN-LSTM
Users that are interested in Molecular_Generating_RNN-LSTM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- ☆12Nov 15, 2020Updated 5 years ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago
- SMILES enumeration for QSAR modelling using LSTM recurrent neural networks