Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2
☆86Apr 17, 2026Updated this week
Alternatives and similar repositories for boltzina
Users that are interested in boltzina are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆35Jul 16, 2024Updated last year
- ☆36Jun 30, 2024Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆19Dec 22, 2024Updated last year
- The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)☆17Feb 23, 2024Updated 2 years ago
- ☆118Jul 18, 2025Updated 9 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆42Mar 26, 2025Updated last year
- ☆11Mar 12, 2026Updated last month
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆92Mar 31, 2026Updated 2 weeks ago
- Deep learning tools for peptide substrate prediction and generation☆42Nov 20, 2025Updated 4 months ago
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year
- Official repository of PXDesign☆189Dec 31, 2025Updated 3 months ago
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆13Feb 11, 2026Updated 2 months ago
- Code for the paper "NovoMolGen: Rethinking Molecular Language Model Pretraining"☆25Jan 18, 2026Updated 3 months ago
- This is a generic C++ library that can be used to rapidly align two small molecules in 3D space, with shape - and optionally color - Tani…☆16Sep 3, 2025Updated 7 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 2 months ago
- ☆27Mar 13, 2026Updated last month
- An accurate and trainable end-to-end protein-ligand docking framework☆129Mar 24, 2025Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆36Apr 11, 2026Updated last week
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆48Jan 28, 2026Updated 2 months ago
- workflow used to prepare PPB-Affinity database☆28Aug 22, 2024Updated last year
- Software for automated analysis of molecular dynamics trajectories☆94Updated this week
- ☆20May 14, 2025Updated 11 months ago
- DyNoPy☆11Sep 5, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆240Sep 29, 2025Updated 6 months ago
- ☆12Jul 5, 2024Updated last year
- ☆14Oct 23, 2024Updated last year
- ☆16Sep 15, 2025Updated 7 months ago
- ☆46Jul 13, 2025Updated 9 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆215Apr 15, 2025Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆34Mar 24, 2025Updated last year
- ☆41Nov 2, 2024Updated last year
- ☆23Mar 8, 2024Updated 2 years 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.
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- ☆14Apr 16, 2024Updated 2 years ago
- Code for the paper "OneProt: Towards Multi-Modal Protein Foundation Models"☆21Oct 31, 2025Updated 5 months ago
- ☆15Sep 27, 2024Updated last year
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆66Feb 21, 2024Updated 2 years ago
- Molecular conformer generation using enhanced sampling methods☆20Jul 28, 2025Updated 8 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆296Dec 23, 2025Updated 3 months ago