A fork of Autodock Vina for DeltaVina scoring function
☆10Nov 7, 2016Updated 9 years ago
Alternatives and similar repositories for vina4dv
Users that are interested in vina4dv are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- DeltaVina scoring function☆42Apr 7, 2017Updated 9 years ago
- research the 2019-nCov and design the inhibitors with AI☆14Jun 6, 2022Updated 3 years ago
- ☆15Jun 7, 2022Updated 3 years ago
- This is a machine-learning based protein-ligand scoring function.☆53Oct 16, 2020Updated 5 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Mar 4, 2018Updated 8 years ago
- 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.
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 5 years ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- Webpage of the Bonvinlab @ Utrecht University and HADDOCK software☆13Apr 9, 2026Updated last week
- EM-GAN is a computational tool, which enables capturing protein structure information from cryo-EM maps more effectively than raw maps. I…☆17Mar 4, 2025Updated last year
- Command-line tools for protein structure analysis: convert PDB, mmCIF, PDBML, or XYZR files into atomic sphere data, then compute volumes…☆15Updated this week
- Dock Multiple Ligands with AutoDock Vina with one Command☆11Jan 10, 2018Updated 8 years ago
- 2D/3D generation for small compounds☆33Feb 2, 2020Updated 6 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Scripts for running lsc model on other datasets☆13May 25, 2019Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Deep convolutional neural networks for protein contact map prediction☆23Aug 5, 2019Updated 6 years ago
- ☆13Jul 11, 2017Updated 8 years ago
- ☆11Oct 1, 2021Updated 4 years ago
- ☆16Jan 5, 2021Updated 5 years ago
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆31Dec 18, 2025Updated 3 months ago
- WaterDock-2.0 implementation with Akshay Sridhar☆21Nov 2, 2023Updated 2 years ago
- Protein surface topographical mapping tool☆30Aug 17, 2023Updated 2 years ago
- Antibody Binding Mutational Database☆41Apr 10, 2019Updated 7 years ago
- Statistical Analysis of Docking Results and Scoring functions☆21Feb 22, 2026Updated last month
- 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.
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆11Jun 15, 2019Updated 6 years ago
- ☆13Nov 10, 2022Updated 3 years ago
- Probabilistic Multi-Parameter Optimization (pMPO)☆17Apr 7, 2017Updated 9 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 6 months ago
- Open Source Mycetoma's First Series of Molecules☆10Sep 22, 2025Updated 6 months ago
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆32May 6, 2024Updated last year
- This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.☆19Mar 31, 2021Updated 5 years ago
- A program interfacing Segment Anything with cryoSPARC via cryosparc-tools to efficiently identify vesicle-embedded membrane proteins and …☆12Feb 18, 2025Updated last year
- Detect and erase gold fiducials in cryo-EM images☆15May 27, 2025Updated 10 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆23May 15, 2019Updated 6 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Apr 7, 2023Updated 3 years ago
- A Bio2BEL package for DrugBank (https://www.drugbank.ca)☆10Dec 14, 2020Updated 5 years ago
- Machine learning interview questions and answers☆11Feb 12, 2020Updated 6 years ago
- Django based chemical database/inventory☆18Feb 20, 2014Updated 12 years ago
- Molecular Property Prediction using GP with a SOAP kernel☆21Nov 16, 2020Updated 5 years ago
- ☆17Oct 18, 2013Updated 12 years ago