Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks
☆29Feb 4, 2019Updated 7 years ago
Alternatives and similar repositories for molecule-generator
Users that are interested in molecule-generator are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆25Oct 14, 2020Updated 5 years ago
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆107Mar 20, 2022Updated 4 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.☆118Dec 26, 2022Updated 3 years ago
- Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neura…☆14Jan 13, 2023Updated 3 years ago
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- ☆42Apr 21, 2022Updated 3 years ago
- Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)☆138Dec 7, 2018Updated 7 years ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 6 years ago
- ☆28Mar 16, 2023Updated 3 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆20Mar 10, 2026Updated last week
- Molecular SMILE generation with recurrent neural networks☆21Jul 13, 2025Updated 8 months ago
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Feb 5, 2020Updated 6 years ago
- ☆45Sep 24, 2021Updated 4 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆64Jun 22, 2021Updated 4 years ago
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago
- ☆14Dec 2, 2024Updated last year
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15May 5, 2018Updated 7 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆52Jun 3, 2020Updated 5 years ago
- ☆65Oct 11, 2022Updated 3 years ago
- Code for "De novo molecular design with chemical language models"☆17Nov 10, 2021Updated 4 years ago
- Graph neural networks for molecular design.☆380Mar 11, 2023Updated 3 years ago
- ☆22Sep 24, 2022Updated 3 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 2 years ago
- Multiobjective De Novo Drug Design with Recurrent Neural Networks and Nondominated Sorting☆18Jan 20, 2020Updated 6 years ago
- Code for "De novo molecular design with chemical language models"☆13Nov 10, 2021Updated 4 years ago
- Img2SMILES generator☆25Aug 29, 2021Updated 4 years ago
- ☆13Jun 9, 2021Updated 4 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- An implementation of the Solubility Forecast Index (SFI)☆24Oct 6, 2025Updated 5 months ago
- ☆25Mar 11, 2022Updated 4 years ago
- source code for deppHop☆36Aug 19, 2022Updated 3 years ago
- ☆174Apr 22, 2022Updated 3 years ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆334Jul 20, 2021Updated 4 years ago
- Automatic prototype based drug generation☆13Feb 13, 2018Updated 8 years ago
- ☆14Jul 6, 2023Updated 2 years ago
- Variational Autoencoder for Molecules☆32Jan 2, 2019Updated 7 years ago