PyTorch implementation of MolGAN: MolGAN: An implicit generative model for small molecular graphs.
☆64Sep 17, 2021Updated 4 years ago
Alternatives and similar repositories for Implementation-MolGAN-PyTorch
Users that are interested in Implementation-MolGAN-PyTorch are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆175Oct 29, 2018Updated 7 years ago
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆294Oct 25, 2023Updated 2 years ago
- Code and data for a four-day hands-on course bringing data science and AI/ML tools to infectious disease research.☆10Mar 2, 2026Updated 4 months ago
- A bit like 'stats::optim', but with torch☆10Apr 2, 2021Updated 5 years ago
- This software automatically sends you emails to notify you of the latest progress of your deep learning programs.☆20Jul 2, 2021Updated 5 years ago
- 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.
- This repository contains the source code of Exploring the Advantages of Quantum Generative Adversarial Networks in Generative Chemistry☆28May 3, 2023Updated 3 years ago
- ☆31Jan 29, 2024Updated 2 years ago
- Code for "De novo molecular design with chemical language models"☆17Nov 10, 2021Updated 4 years ago
- 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
- ☆12Nov 24, 2022Updated 3 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Oct 11, 2021Updated 4 years ago
- MoFlow: an invertible flow model for generating molecular graphs☆149Mar 14, 2023Updated 3 years ago
- Neural Graph Generator: Feature-Conditioned Graph Generation using Latent Diffusion Models☆27Mar 25, 2024Updated 2 years ago
- ☆360Oct 12, 2022Updated 3 years ago
- 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.
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Sep 29, 2020Updated 5 years ago
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆23Sep 4, 2023Updated 2 years ago
- MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization (AAAI 21')☆29Jul 17, 2023Updated 3 years ago
- Zeolite GAN☆28Jun 17, 2020Updated 6 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆51Jan 27, 2026Updated 5 months ago
- ☆16Jul 6, 2023Updated 3 years ago
- Biological Information Extraction from Large Language Models (LLMs) (Journal of Computational Biology 2025)☆13Jun 18, 2025Updated last year
- Code and Data for paper: Cross-Partisan Discussions on YouTube: Conservatives Talk to Liberals but Liberals Don't Talk to Conservatives (…☆13Jun 16, 2021Updated 5 years ago
- PyTorch and PennyLane implementation of Quantum GAN with Hybrid Generator.☆96Aug 12, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Source code of attributed graph generator☆12Feb 10, 2023Updated 3 years ago
- ☆28Mar 3, 2024Updated 2 years ago
- parameterizing valid Euclidean distance matrices (EDMs) via neural networks☆19Oct 18, 2019Updated 6 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆57Apr 18, 2022Updated 4 years ago
- Official Implementation of Graph Mixer Networks☆19Dec 5, 2023Updated 2 years ago
- ChatGPDB Service☆12Mar 30, 2023Updated 3 years ago
- Resources for and by the #codingForChemists Discord community!☆10Jun 18, 2023Updated 3 years ago
- comparing drug classification methods☆21Feb 8, 2020Updated 6 years ago
- ☆20Jun 21, 2022Updated 4 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆29Mar 16, 2023Updated 3 years ago
- Mol-CycleGAN - a generative model for molecular optimization☆76Feb 6, 2019Updated 7 years ago
- A curated biochemical database that integrates and refines data from KEGG and ATLAS databases to support precise analyses of biochemical …☆16May 13, 2026Updated 2 months ago
- Graph neural networks for molecular design.☆381Mar 11, 2023Updated 3 years ago
- Source code for the paper Residual Enhanced Multi-Hypergraph Neural Network (ICIP 2021).☆19Jul 8, 2021Updated 5 years ago
- Awesome papers related to generative molecular modeling and design.☆343Jun 14, 2026Updated last month
- 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