Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2
☆106May 16, 2026Updated 5 months ago
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:
- A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening☆32Feb 24, 2026Updated 8 months ago
- ☆69Jun 27, 2025Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 5 months ago
- ☆37Feb 20, 2026Updated 8 months ago
- Use AutoDock for Ligand-based Virtual Screening☆23Aug 18, 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.
- ☆40Jun 10, 2025Updated last year
- Alchemical mutation scoring map☆11May 19, 2024Updated 2 years ago
- ☆16Aug 8, 2025Updated last year
- Uni-Dock: a GPU-accelerated molecular docking program☆317Jul 20, 2026Updated 3 months ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆45Jul 17, 2025Updated last year
- ☆56May 29, 2026Updated 5 months ago
- AI-native molecular docking framework unified with site binding, conformation sampling and scoring☆21Oct 14, 2026Updated 3 weeks ago
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆896Oct 13, 2026Updated 3 weeks ago
- AdaptiveFlow for Virtual Screening (AFVS)☆20Updated this week
- 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.
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 3 years ago
- Inference code for RFdiffusion2☆454Oct 22, 2026Updated 2 weeks ago
- GPU-accelerated molecular docking software: Uni-Dock 2☆66Sep 3, 2026Updated 2 months ago
- A Multi-Task Generative model for Structure-Based Drug Design☆72Oct 12, 2026Updated 3 weeks ago
- The Open Free Energy toolkit☆346Updated this week
- ☆80Updated this week
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆181Jun 25, 2026Updated 4 months ago
- ☆44Mar 26, 2025Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆90Mar 18, 2026Updated 7 months ago
- 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.
- ☆11Oct 3, 2026Updated last month
- Codebase for Paper: Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with Mo…☆44Sep 22, 2026Updated last month
- Use https://github.com/cddlab/boltz_restr instead☆19Dec 5, 2025Updated 11 months ago
- ☆22Oct 3, 2026Updated last month
- ☆41Jun 17, 2026Updated 4 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆259Sep 29, 2025Updated last year
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆90Jan 8, 2025Updated last year
- TarPass, a benchmark for target-aware de novo molecular generation.☆16Sep 23, 2026Updated last month
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆235Apr 15, 2025Updated last year
- 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.
- Accelerating Open-Source Binding Affinity Predictions☆203Aug 22, 2026Updated 2 months ago
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆2,104Sep 21, 2026Updated last month
- material for cheminfo tutorial☆13Oct 26, 2023Updated 3 years ago
- [JCIM 2026] Biasing Conformational Sampling in AlphaFold 3 and Boltz-2 via Pair Representation Scaling☆32Aug 20, 2026Updated 2 months ago
- A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, an…☆282Updated this week
- Plausibility checks for generated molecule poses.☆420Oct 3, 2026Updated last month
- Official repository of PXDesign☆273Dec 31, 2025Updated 10 months ago