a toolbox for the manipulation, modelling and analysis of molecular structures
☆27Nov 27, 2025Updated 4 months ago
Alternatives and similar repositories for biobox
Users that are interested in biobox are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PCA and normal mode analysis of proteins☆21May 16, 2024Updated last year
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Nov 17, 2022Updated 3 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Sep 2, 2022Updated 3 years ago
- ☆11Jan 2, 2021Updated 5 years ago
- A Generative Model for Molecules in 3D Space☆12Nov 10, 2021Updated 4 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.
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- Structural space exploration of AlphaFold DB☆12Oct 8, 2021Updated 4 years ago
- A Python package for mapping sequence aligned data onto protein structures☆37May 26, 2021Updated 4 years ago
- The OpenMM Cookbook and Tutorials☆56Feb 11, 2026Updated 2 months ago
- Generate and perturb protein structural ensembles using the ExProSE algorithm☆23Oct 23, 2024Updated last year
- ☆14Jan 11, 2022Updated 4 years ago
- CH485 - Artificial Intelligence and Chemistry☆14Jan 1, 2020Updated 6 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Jul 23, 2023Updated 2 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22May 19, 2022Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Calculating paramagnetic NMR effects in proteins☆10May 20, 2022Updated 3 years ago
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Nov 12, 2021Updated 4 years ago
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆11Oct 2, 2025Updated 6 months ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- EvoEF + evolutionary profile for ddG_bind prediction☆14Oct 17, 2025Updated 5 months ago
- Printing text using protein structures☆14Aug 9, 2021Updated 4 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Oct 16, 2018Updated 7 years ago
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 3 years ago
- ☆33Jun 1, 2024Updated 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.
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- An exploration of the state of the art in the application of data science to quantum chemistry.☆13Dec 30, 2025Updated 3 months ago
- ☆13Dec 18, 2019Updated 6 years ago
- MMTSB Tool Set☆33Jan 26, 2026Updated 2 months ago
- A structure-based, alignment-free embedding approach for proteins. Can be used as input to machine learning algorithms.☆41Jun 8, 2023Updated 2 years ago
- A protein structure dataset that combines 3D atomic coordinates with biophysical and evolutionary properties for every atom in every "cle…☆39Jul 25, 2024Updated last year
- pdbx is a parser module in python for structures of the protein data bank in the mmcif format☆30Aug 9, 2024Updated last year
- Methods for mapping genomic data onto 3D protein structure.☆28May 17, 2022Updated 3 years ago
- AlphaLink2: Integrating crosslinking MS data into Uni-Fold-Multimer☆64Aug 26, 2025Updated 7 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 3 years ago
- ML toolset for creating TED: The Encyclopedia of Domains☆26May 29, 2025Updated 10 months ago
- Calculation of interatomic interactions in molecular structures☆125Sep 3, 2024Updated last year
- ☆12Oct 21, 2018Updated 7 years ago
- A research-grade quantum chemistry program written in Julia☆68Apr 7, 2021Updated 5 years ago
- Meta learning addresses noisy and under-labeled data in machine learning-guided antibody engineering (https://doi.org/10.1016/j.cels.2023…☆23Aug 8, 2024Updated last year
- AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.☆21Apr 5, 2024Updated 2 years ago