Official implementation of DrugGEN in PyTorch
☆12Oct 27, 2023Updated 2 years ago
Alternatives and similar repositories for DrugGEN
Users that are interested in DrugGEN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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
- Detect and characterize binding pockets from molecular simulations.☆16Mar 17, 2026Updated last month
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆96Apr 11, 2026Updated 3 weeks ago
- Software for analyzing high dimensional dose-response data☆19Mar 18, 2026Updated last month
- ☆31Jun 19, 2025Updated 10 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆13Jun 23, 2025Updated 10 months ago
- Tensor Parallelism with JAX + Shard Map☆11Sep 29, 2023Updated 2 years ago
- pyAffy: Processing raw data from Affymetrix expression microarrays in Python.☆18Dec 6, 2016Updated 9 years ago
- A geometry-complete diffusion generative model (GCDM) for structure-based drug design (Nature CommsChem)☆25Nov 6, 2024Updated last year
- This is a curated list of research papers, resources and tools related to using Graph Neural Networks (GNNs) for drug discovery.☆62Apr 1, 2024Updated 2 years ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆12Oct 2, 2023Updated 2 years ago
- Generative Adversarial Network: Optimization in Targeted Design☆16Apr 12, 2022Updated 4 years ago
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆16Mar 27, 2019Updated 7 years ago
- 免费领取QQ名片赞☆15Apr 20, 2019Updated 7 years ago
- 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.
- ☆11Apr 11, 2023Updated 3 years ago
- ☆15Aug 26, 2024Updated last year
- The official implementation of the paper "MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Mo…☆11Jun 25, 2023Updated 2 years ago
- This repository gathers the SchNet4AIM code along with some instructions and readme files.☆15Mar 13, 2024Updated 2 years ago
- The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…☆36Feb 3, 2026Updated 3 months ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆66Jul 2, 2024Updated last year
- MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…☆14Jan 22, 2024Updated 2 years ago
- A JAX nn library☆21Sep 9, 2025Updated 7 months ago
- ☆13Oct 19, 2023Updated 2 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.
- Physico-chemical and biological property prediction for small molecules☆12May 3, 2022Updated 4 years ago
- PhoreGen: Pharmacophore-Oriented 3D Molecular Generation towards Efficient Feature-Customized Drug Discovery https://www.nature.com/artic…☆35Jan 26, 2026Updated 3 months ago
- Neural-ODE for Pharmacokinetics Modeling☆20Feb 1, 2022Updated 4 years ago
- Code for scKINETICS (ISMB 2023)☆22Oct 23, 2023Updated 2 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Dec 30, 2022Updated 3 years ago
- This project is based on an improved Wav2Lip model, achieving synchronization between audio and video lip movements to enhance video prod…☆17Jul 10, 2024Updated last year
- ☆10Mar 7, 2024Updated 2 years ago
- Code to analyze the data from DNA-encoded libraries (DELs)☆11Jul 12, 2023Updated 2 years ago
- [NeurIPS 2022] Explaining Graph Neural Networks with Structure-Aware Cooperative Games (GStarX)☆14Oct 20, 2022Updated 3 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.
- Jupyter widget for the dynamic and static visualizations of systems biology models written in PySB, BNGL, and SBML☆28Mar 13, 2023Updated 3 years ago
- Some useful things while 集中教学 in Yan Qi Lake, Beijing:国科大人文讲座脚本☆11Jul 23, 2024Updated last year
- 《数据挖掘技术》课程 Slides and Code☆11Feb 25, 2025Updated last year
- Comprehensive Resource of Biomedical Relations with Deep Learning Applications and Knowledge Graph Representations☆33Nov 3, 2023Updated 2 years ago
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆27Dec 31, 2021Updated 4 years ago
- A Deep Dive into Object Oriented Programming in Python january 2020 - february 2020☆13Jun 25, 2020Updated 5 years ago
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆27Nov 8, 2024Updated last year