Synthetic Accessibility via Fragment Assembly Generation
☆25Jul 3, 2026Updated 3 months ago
Alternatives and similar repositories for SynFrag
Users that are interested in SynFrag are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆17Mar 27, 2026Updated 7 months ago
- ☆26Oct 24, 2026Updated last week
- ☆20Oct 21, 2026Updated last week
- A web-based novel drug design platform for up-to-date bioisosteric replacement☆30May 13, 2026Updated 5 months ago
- ShEPhERD-2 code: Interaction Profiles as a Universal Language for Generative Molecular Design☆64Oct 23, 2026Updated last week
- 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.
- Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling☆33Oct 13, 2026Updated 2 weeks ago
- AI-augmented R-group exploration in medicinal chemistry☆21Sep 25, 2024Updated 2 years ago
- ☆40Feb 20, 2026Updated 8 months ago
- TarPass, a benchmark for target-aware de novo molecular generation.☆16Sep 23, 2026Updated last month
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆97Mar 31, 2026Updated 7 months ago
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆26May 22, 2025Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆21Dec 22, 2024Updated last year
- ☆91Jan 11, 2025Updated last year
- AI-native molecular docking framework unified with site binding, conformation sampling and scoring☆21Oct 14, 2026Updated 2 weeks 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.
- A Multi-Task Generative model for Structure-Based Drug Design☆72Oct 12, 2026Updated 2 weeks ago
- [ICML 25'] Compositional Flows for 3D Molecule and Synthesis Pathway Co-design☆19Dec 1, 2025Updated 11 months ago
- Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models☆47Jul 20, 2026Updated 3 months ago
- 🧬 A Genetic Algorithm for Navigating Synthesizable Molecular Spaces (ICLR 2026)☆16Apr 1, 2026Updated 7 months ago
- ReaSyn is a model for predicting a molecule's synthesis pathway, reaction steps from building blocks to final product(s), using an encode…☆116Oct 15, 2026Updated 2 weeks ago
- Test data for paper “αExtractor: a web server for automatic extraction of chemical structure from literature”☆20Dec 26, 2023Updated 2 years ago
- Recent application of graph neural network in drug discovery☆14Mar 19, 2020Updated 6 years ago
- Cheminformatic extension for SQLAlchemy☆18Aug 9, 2026Updated 2 months ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 10 months ago
- ☆16Aug 8, 2025Updated last year
- VenomPred 2.0 API☆11Jul 7, 2026Updated 3 months ago
- RNA, mRNA, DNA, Peptide, Protein, Antibody and Complex | Folding☆44Updated this week
- Generate Simple Pharmacophore Models with RDKit☆52Sep 30, 2026Updated last month
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆41Aug 14, 2026Updated 2 months ago
- ☆10Mar 27, 2025Updated last year
- An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to br…☆44Sep 17, 2026Updated last month
- A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening☆31Feb 24, 2026Updated 8 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.
- ☆11Jan 26, 2026Updated 9 months ago
- An introduction to small molecule drug design with practicals☆15Sep 10, 2026Updated last month
- ☆10Dec 8, 2025Updated 10 months ago
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- ☆11May 22, 2024Updated 2 years ago
- From Millions to Hits: A Practical HTVS Workflow☆20Sep 6, 2026Updated last month
- ☆14Sep 11, 2025Updated last year