a toolbox for the manipulation, modelling and analysis of molecular structures
☆28Oct 5, 2026Updated 3 weeks 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:
- 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
- ☆14Jan 11, 2022Updated 4 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 8 years ago
- Allosteric design of proteins using allosteric pathways, stability calculations, and normal mode analysis☆12Jan 11, 2026Updated 9 months ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Nov 17, 2022Updated 3 years ago
- 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.
- ☆11Mar 27, 2026Updated 7 months ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 5 years ago
- Virus Protein Structural Analysis Toolkit☆15Sep 9, 2024Updated 2 years ago
- Partner specific prediction of protein binding sites☆10Mar 13, 2023Updated 3 years ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- ☆14Dec 18, 2019Updated 6 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22May 19, 2022Updated 4 years ago
- fast functionalisation of molecules☆40Nov 8, 2021Updated 4 years ago
- A Generative Model for Molecules in 3D Space☆12Nov 10, 2021Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 5 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆20Sep 2, 2022Updated 4 years ago
- ☆12Jan 2, 2021Updated 5 years ago
- ☆13May 24, 2026Updated 5 months ago
- ☆13Oct 21, 2018Updated 8 years ago
- PCA and normal mode analysis of proteins☆21May 16, 2024Updated 2 years ago
- Paper for release☆11Sep 24, 2021Updated 5 years ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 3 years ago
- Calculating paramagnetic NMR effects in proteins☆10May 20, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 5 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Mar 2, 2020Updated 6 years ago
- Repository of Jupyter Notebooks created by the Bio2Byte group☆10Apr 9, 2025Updated last year
- A Python 3 script for cleaning up the PDB file☆11Dec 20, 2017Updated 8 years ago
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Sep 27, 2020Updated 6 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆46Jul 23, 2023Updated 3 years ago
- MEGADOCK on Google Colaboratory☆20Oct 2, 2023Updated 3 years ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- A Python package for mapping sequence aligned data onto protein structures☆37May 26, 2021Updated 5 years 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.
- Identifies relevant ligands in the PDB☆10Updated this week
- Structural space exploration of AlphaFold DB☆13Oct 8, 2021Updated 5 years ago
- CH485 - Artificial Intelligence and Chemistry☆14Jan 1, 2020Updated 6 years ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- The OpenMM Cookbook and Tutorials☆63Sep 18, 2026Updated last month
- Generate and perturb protein structural ensembles using the ExProSE algorithm☆24Oct 23, 2024Updated 2 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago