☆26Feb 11, 2026Updated 5 months ago
Alternatives and similar repositories for boltztools
Users that are interested in boltztools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Dashboard for LLM Drug Discovery Challenge.☆14Sep 6, 2023Updated 2 years ago
- Enables using Boltz-1/1x to predict the structure of arbitrary covalent modifications / Non-Canonical Amino Acids. Covalent bonds are enf…☆22May 21, 2025Updated last year
- A lightweight, fast pocket finder in Python.☆92May 4, 2026Updated 2 months ago
- EnzyMM - Enzyme Motif Miner - Geometric matching of catalytic motifs in protein structures.☆41May 23, 2026Updated last month
- ☆14Mar 31, 2026Updated 3 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.
- 📽️ Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact☆107Jun 10, 2026Updated last month
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- 🏵️ A collection of automated pipelines for building, simulation, and analysis of complex biomembrane systems☆22Apr 22, 2026Updated 2 months ago
- Boltz with restraint-guided inference☆19Updated this week
- A package to create, visualize, and analysis PDB-derived pseudo-ensembles.☆12Jan 7, 2026Updated 6 months ago
- ☆67Jun 27, 2025Updated last year
- Metadiffusion implemented in Boltz-2☆24Feb 23, 2026Updated 4 months ago
- ☆46Dec 30, 2025Updated 6 months ago
- Fine-tuning Boltz-1 for domain knowledge adaption☆27Apr 29, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Google Colaboratory Notebooks for Computational Biochemistry☆21Jun 15, 2025Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 2 months ago
- [ICML 25'] Compositional Flows for 3D Molecule and Synthesis Pathway Co-design☆19Dec 1, 2025Updated 7 months ago
- ☆11Oct 1, 2021Updated 4 years ago
- ☆14Jun 4, 2024Updated 2 years ago
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Sep 15, 2023Updated 2 years ago
- ☆15Aug 8, 2025Updated 11 months ago
- SST2 implementation in openmm☆23Jul 9, 2026Updated last week
- Automate seekr handling with seekrflow to decrease time and manual intervention to complete seekr calculations.☆24Updated this week
- 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.
- GUI for Boltz☆35Jun 11, 2025Updated last year
- Code for running BinderFlow☆66Jun 22, 2026Updated 3 weeks ago
- download and prepare a pdb file for docking wth Vina-flavoured algorithms☆13Oct 11, 2021Updated 4 years ago
- ☆18Dec 5, 2025Updated 7 months ago
- design by evolutionary algorithm☆23Jul 8, 2026Updated last week
- PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Comp…☆17Mar 18, 2026Updated 4 months ago
- Official code repository for the paper titled "Efficient Molecular Conformer Generation with SO(3) Averaged Flow-Matching and Reflow" (IC…☆16Jan 8, 2026Updated 6 months ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆33Jun 9, 2026Updated last month
- Free Parametrization for Small Molecules☆66Jun 30, 2026Updated 3 weeks ago
- 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.
- Control PyMOL with natural language prompts using an LLM to make better figures, analyze structures, and more...☆39May 19, 2026Updated 2 months ago
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆38Jul 8, 2026Updated last week
- Data generation and submission scripts for the QCArchive ecosystem.☆36Jun 16, 2026Updated last month
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated 2 years ago
- ☆19Feb 27, 2026Updated 4 months ago
- 分子動力学法ステップ・バイ・ステップ☆17Oct 13, 2019Updated 6 years ago
- Software package for FEP☆23Mar 3, 2026Updated 4 months ago