download and prepare a pdb file for docking wth Vina-flavoured algorithms
☆13Oct 11, 2021Updated 4 years ago
Alternatives and similar repositories for pdb_to_pdbqt
Users that are interested in pdb_to_pdbqt 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 shiny GUI for the reshape2 package☆13Apr 1, 2014Updated 12 years ago
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Mar 22, 2021Updated 5 years ago
- Materials for the "Advanced Shiny" course at Swiss Institute of Bioinformatics☆12Dec 5, 2019Updated 6 years ago
- Materials for the "Apps and Dashboards with Shiny " workshop at WSDS 2018☆19Jun 5, 2019Updated 7 years ago
- ☆16Apr 10, 2019Updated 7 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.
- A tool for quantifying the threat quantum computers pose to public-key cryptosystems.☆17Dec 24, 2025Updated 7 months ago
- Shape-based alignment of molecules using 3D point-based representation☆26Apr 8, 2026Updated 3 months ago
- The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit☆14Dec 12, 2022Updated 3 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- ☆13Jun 4, 2023Updated 3 years ago
- Java implementation of CoolSocket TCP messaging library.☆13Jan 22, 2025Updated last year
- An implementation of the Solubility Forecast Index (SFI)☆25Oct 6, 2025Updated 9 months ago
- MQTT Air quality (PM10, PM2.5) monitoring station☆11Nov 17, 2020Updated 5 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 3 years ago
- Materials for the "Advanced Shiny" course for Astra Zeneca☆32Sep 9, 2021Updated 4 years ago
- ☆23Sep 15, 2023Updated 2 years ago
- ☆10May 25, 2017Updated 9 years ago
- The SimSite3D Software tools are designed to quickly search a database of three dimensional structures, in Protein Data Bank format, with…☆11Oct 18, 2018Updated 7 years ago
- TCR Reconstruction Algorithm for Paired-End Single cell☆14Oct 13, 2019Updated 6 years ago
- ☆25Oct 30, 2020Updated 5 years ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Oct 21, 2020Updated 5 years ago
- A tool for the perception of chemical bonds via machine learning☆10Nov 15, 2025Updated 8 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.
- Template-directed automatic generation of transition state structures.☆11Nov 22, 2016Updated 9 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- Documenting a subset of the SMILES language.☆13Jun 23, 2022Updated 4 years ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 years ago
- Dock Multiple Ligands with AutoDock Vina with one Command☆11Jan 10, 2018Updated 8 years ago
- Python code for "Fast Bayesian nonnegative matrix factorisation and tri-factorisation", presented at NIPS 2016 Workshop on Advances in Ap…☆21Jun 10, 2018Updated 8 years ago
- Statistical Analysis of Docking Results and Scoring functions☆21May 14, 2026Updated 2 months ago
- pCMF R package☆14Apr 16, 2019Updated 7 years ago
- McDock: Simple Monte Carlo docking algorithm in C++☆11Feb 10, 2017Updated 9 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- control JJRC H47 ELFIE+ drone and receive a colored image from it's camera☆11Aug 17, 2022Updated 3 years ago
- QM/MM interfacing in Python☆10Feb 12, 2019Updated 7 years ago
- Knowledge graph Entity and Word Embeddings for Retrieval☆11Nov 19, 2021Updated 4 years ago
- scEntropy method and scEGMM framework☆18Oct 26, 2019Updated 6 years ago
- Re-scoring a set of docked ligands with off-the-shelf algorithms to assess utility in virtual screening☆11Oct 13, 2021Updated 4 years ago
- ☆13Apr 11, 2019Updated 7 years ago
- Prediction of ligand binding site☆15Feb 3, 2026Updated 5 months ago