Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
☆12Feb 22, 2024Updated 2 years ago
Alternatives and similar repositories for Fragmenstein
Users that are interested in Fragmenstein 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-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- ☆20Dec 5, 2024Updated last year
- ☆14May 15, 2024Updated 2 years ago
- ☆17Jul 30, 2024Updated 2 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆15Aug 8, 2025Updated last year
- ☆13May 18, 2025Updated last year
- ☆18Sep 16, 2024Updated last year
- Augmented Memory and Beam Enumeration implementation☆28Jun 9, 2024Updated 2 years ago
- These files are meant to accompany "What are our models really telling us? A practical tutorial on avoiding common mistakes when buildin…☆13May 22, 2013Updated 13 years ago
- BayeshERG Official Repository☆16May 30, 2025Updated last year
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- ☆20Nov 12, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆13Jul 8, 2025Updated last year
- ☆13Oct 9, 2024Updated last year
- ☆10Jul 30, 2024Updated 2 years ago
- ☆17Feb 13, 2023Updated 3 years ago
- ☆15Jan 22, 2023Updated 3 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆63Mar 30, 2026Updated 4 months ago
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 2024Updated last year
- Structural optimization of drug molecules by generative deep learning.☆16Apr 9, 2026Updated 4 months ago
- Practical Cheminformatics Blog Posts☆73Feb 10, 2026Updated 6 months 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.
- ☆12Oct 9, 2024Updated last year
- ☆13Apr 1, 2026Updated 4 months ago
- A Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- ☆80Feb 17, 2026Updated 5 months ago
- Code for "De novo molecular design with chemical language models"☆13Nov 10, 2021Updated 4 years ago
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆32May 17, 2024Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆28Mar 24, 2025Updated last year
- Contributed and additional nodes for maize☆23Feb 18, 2026Updated 5 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated 2 years ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆90Jun 17, 2026Updated last month
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆114Oct 31, 2024Updated last year
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Jul 26, 2023Updated 3 years ago
- Implementation of IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆16Jun 4, 2025Updated last year
- ☆14Jan 30, 2025Updated last year
- ☆29Mar 16, 2023Updated 3 years ago