AI for a cure, a combination of Latent-GAN and VAE-JTNN to create 100% valid drug like molecules
☆10Mar 16, 2020Updated 6 years ago
Alternatives and similar repositories for MolGAN
Users that are interested in MolGAN 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 Information of Publications☆14Mar 24, 2019Updated 7 years ago
- All the codes and data used in "Inverse design of soft materials via a deep-learning-based evolutionary strategy", by G. M. Coli, E. Boat…☆12Oct 26, 2021Updated 4 years ago
- Generative Adversarial Network: Optimization in Targeted Design☆16Apr 12, 2022Updated 4 years ago
- A code for calculating MBTR molecule/crystal structure representation. (https://doi.org/10.1088/2632-2153/aca005)☆14Nov 15, 2022Updated 3 years ago
- Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch☆25Nov 7, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆17Apr 5, 2020Updated 6 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 years ago
- Official implementation of DrugGEN in PyTorch☆12Oct 27, 2023Updated 2 years ago
- Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows☆17Sep 27, 2018Updated 7 years ago
- An implementation of the Latent Gan as discribed in the publication [cite]☆66Apr 2, 2021Updated 5 years ago
- Code for KekuleScope☆11Nov 22, 2022Updated 3 years ago
- ☆69May 11, 2022Updated 4 years ago
- ☆30Jun 19, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- TPU index is a package for fast similarity search over large collections of high dimension vectors on TPUs☆17Sep 9, 2021Updated 4 years ago
- Horizon was Hack Club's first all-female/nonbinary hackathon weekend!☆19May 18, 2026Updated last month
- Example HTML presentation with Reveal.js bundled with Vite.js☆20Feb 17, 2021Updated 5 years ago
- https://arxiv.org/abs/2102.11439☆21Apr 13, 2021Updated 5 years ago
- Zeolite GAN☆28Jun 17, 2020Updated 6 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- A simple YAML transpiler for rendering Kubernetes manifests using python type-hints.☆19Nov 7, 2025Updated 7 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- VoxelNet Implementation for Usage on Win and Linux Systems☆10Jul 9, 2019Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 免费领取QQ名片赞☆14Apr 20, 2019Updated 7 years ago
- (backup fork since google code is going down)☆12Mar 12, 2015Updated 11 years ago
- An improved version of jadeocr, built on Vue3 and TypeScript☆21Dec 28, 2021Updated 4 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Feb 14, 2023Updated 3 years ago
- Datasets used in the tox21 challenge☆11Nov 6, 2019Updated 6 years ago
- Molecular SMILE generation with recurrent neural networks☆22Jul 13, 2025Updated 11 months ago
- Implementation of "Learning Deep Generative Models"☆12Jun 4, 2019Updated 7 years ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- bioscrape (Bio-circuit Stochastic Single-cell Reaction Analysis and Parameter Estimation)☆16Jan 9, 2021Updated 5 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Evals meant to evaluate language models' ability to reason over long contexts.☆10Sep 12, 2024Updated last year
- Code and data for a four-day hands-on course bringing data science and AI/ML tools to infectious disease research.☆10Mar 2, 2026Updated 3 months ago
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆561Dec 1, 2022Updated 3 years ago
- Experimental toolbox for quantum Shapley values.☆10Jan 2, 2024Updated 2 years ago
- A sorted list of ML (mostly deep learning) papers relating to chemistry, biology, and drug discovery.☆14May 12, 2017Updated 9 years ago
- ☆10Feb 12, 2025Updated last year
- Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆72Mar 31, 2021Updated 5 years ago