Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.
☆115Mar 24, 2023Updated 2 years ago
Alternatives and similar repositories for ChemGAN-challenge
Users that are interested in ChemGAN-challenge are comparing it to the libraries listed below
Sorting:
- Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.☆118Dec 26, 2022Updated 3 years ago
- Using PubMed to find out how a gene contributes to addiction.☆20Dec 27, 2022Updated 3 years ago
- Generative Tensorial Reinforcement Learning (GENTRL) model☆634Jul 25, 2024Updated last year
- Novel molecules generation with LSTM☆18Sep 2, 2020Updated 5 years ago
- An autoencoder using a convolutional neural network with Tensorflow☆11Dec 6, 2017Updated 8 years ago
- Generation and Classification of Drug Like molecule usings Neural Networks☆67Feb 1, 2019Updated 7 years ago
- Variational Information Bottleneck☆16Nov 26, 2018Updated 7 years ago
- Pipeline to call somatic cancer neoantigens from mutations in patient tumor DNA☆14Feb 16, 2023Updated 3 years ago
- Study done with the dataset of the Parkinson’s Disease Digital Biomarker DREAM Challenge☆11Jan 9, 2018Updated 8 years ago
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models☆958Jul 8, 2024Updated last year
- SARS-CoV-2 RBD antibody escape calculator☆12Nov 19, 2024Updated last year
- Highly sensitive pathogen detection☆12Oct 5, 2020Updated 5 years ago
- For MHC-I protein-peptide binding predictions: Deep Learning model with CNN and Snakemake workflow☆13Oct 22, 2018Updated 7 years ago
- Removing PCR duplicates for sequencing reads.☆14Sep 8, 2020Updated 5 years ago
- Molecule Validation and Standardization☆182Apr 16, 2020Updated 5 years ago
- semantic image segmentation networks implemented in tensorflow☆16Jan 21, 2017Updated 9 years ago
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆22Oct 31, 2025Updated 4 months ago
- A sorted list of ML (mostly deep learning) papers relating to chemistry, biology, and drug discovery.☆14May 12, 2017Updated 8 years ago
- Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models☆242Mar 24, 2023Updated 2 years ago
- Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)☆161Nov 1, 2018Updated 7 years ago
- Multiobjective De Novo Drug Design with Recurrent Neural Networks and Nondominated Sorting☆18Jan 20, 2020Updated 6 years ago
- StarCraft II Learning Environment☆18Feb 28, 2019Updated 7 years ago
- Hasktorch two-layer network example project☆13Nov 21, 2020Updated 5 years ago
- Protein-compound affinity prediction through unified RNN-CNN☆153Jul 19, 2024Updated last year
- OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research☆738Nov 26, 2023Updated 2 years ago
- Convert sketch to face image using Conditional Adversarial Nets (https://phillipi.github.io/pix2pix/)☆17May 31, 2017Updated 8 years ago
- This is the code for "Generative Artificial Intelligence" By Siraj Raval on Youtube☆102Feb 23, 2018Updated 8 years ago
- An experimental repo for experimenting with PyTorch models☆38Mar 24, 2023Updated 2 years ago
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆292Oct 25, 2023Updated 2 years ago
- 3D chemical structure visualisation with three.js☆18Jun 29, 2023Updated 2 years ago
- ☆15May 19, 2020Updated 5 years ago
- Medical Q&A with Deep Language Models☆571Mar 25, 2023Updated 2 years ago
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 6 years ago
- a Customized Proteogenomic Workflow for Neoantigen Prediction and Selection☆24Apr 6, 2022Updated 3 years ago
- Machine Learning package allowing faster cross-validation☆18Aug 26, 2019Updated 6 years ago
- A Molecular Benchmark for Disease and Target Based Machine Learning☆24Feb 9, 2022Updated 4 years ago
- JAXChem is a JAX-based deep learning library for complex and versatile chemical modeling☆81Jul 15, 2020Updated 5 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆189Dec 5, 2025Updated 3 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆98Oct 30, 2025Updated 4 months ago