☆29Jun 18, 2023Updated 3 years ago
Alternatives and similar repositories for TargetGAN
Users that are interested in TargetGAN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆66Jul 2, 2024Updated 2 years ago
- ☆17Nov 14, 2022Updated 3 years ago
- ☆11Jun 16, 2024Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆38Jan 23, 2024Updated 2 years ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Jul 26, 2023Updated 2 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.
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 2 years ago
- ☆17Sep 4, 2023Updated 2 years ago
- ☆11Apr 11, 2023Updated 3 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆41Oct 20, 2022Updated 3 years ago
- ☆26Jan 17, 2024Updated 2 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Dec 30, 2022Updated 3 years ago
- ☆14Jul 5, 2022Updated 4 years ago
- LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.☆17Feb 20, 2021Updated 5 years ago
- 3D_Molecular_Generation☆116Nov 23, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆78Jul 20, 2023Updated 3 years ago
- ☆42Jun 3, 2025Updated last year
- ☆66Nov 28, 2023Updated 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 5 months ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22May 19, 2022Updated 4 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆57Jul 21, 2025Updated last year
- ☆29Mar 16, 2023Updated 3 years ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated 3 weeks ago
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- 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.
- ☆12Mar 16, 2024Updated 2 years ago
- A Euclidean diffusion model for structure-based drug design.☆518Jun 25, 2025Updated last year
- Open source code for DyScore☆20Jan 9, 2023Updated 3 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆20Dec 22, 2024Updated last year
- ☆15Sep 27, 2024Updated last year
- ☆22May 9, 2025Updated last year
- Direct-to-SVG small molecule drawer.☆34Feb 17, 2025Updated last year
- Language models for drug discovery using torchrl☆118Apr 12, 2026Updated 3 months ago
- ☆43Apr 21, 2022Updated 4 years ago
- 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.
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆50Jun 5, 2026Updated last month
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Jan 27, 2025Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆71Apr 26, 2024Updated 2 years ago
- ☆11Apr 10, 2022Updated 4 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆204Feb 12, 2023Updated 3 years ago
- ☆19Aug 31, 2025Updated 10 months ago
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38May 16, 2025Updated last year