This is a machine-learning based protein-ligand scoring function.
☆53Oct 16, 2020Updated 5 years ago
Alternatives and similar repositories for deltaVinaXGB
Users that are interested in deltaVinaXGB are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is a deep learning model used to predict molecular energy☆13May 30, 2019Updated 6 years ago
- ☆15Jun 7, 2022Updated 3 years ago
- Recommends the most scenic route for your roadtrip☆11Mar 2, 2020Updated 6 years ago
- DeltaVina scoring function☆42Apr 7, 2017Updated 9 years ago
- Insight project on animal shelter adoption☆11Apr 3, 2020Updated 6 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.
- ☆10Feb 11, 2020Updated 6 years ago
- This is a project for Insight Fellow Program☆17Dec 5, 2022Updated 3 years ago
- I developed a Logistic Regression model to classify the sentiment (positive or negative) of tweets, to an accuracy of 77%☆10Nov 7, 2019Updated 6 years ago
- Insight Data Fellows Project. Targeting organic food buyers using Instacart data.☆14Mar 17, 2020Updated 6 years ago
- Data science interview questions and answers☆10Aug 7, 2020Updated 5 years ago
- Classification of colorectal cancer histology into 8 classes☆26Aug 27, 2019Updated 6 years ago
- ☆11Feb 27, 2020Updated 6 years ago
- SmartRev is a web app that is designed to scrape and classify critical reviews on pet food from Chewy's website into three categories of …☆13Jun 2, 2021Updated 4 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years 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.
- EarthEngine Javascript API scripts cloned from code editor, mainly for Ho et al. (2017), "Using Landsat to extend the historical record o…☆13Oct 29, 2019Updated 6 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Dec 2, 2024Updated last year
- version tracking for the swift analysis in support of the planck clusters☆10Jan 6, 2021Updated 5 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 5 years ago
- ☆12Jun 3, 2019Updated 6 years ago
- ☆40May 22, 2024Updated last year
- ☆115Apr 17, 2023Updated 3 years ago
- Classification of genetic variations based on clinical evidence (text)☆10May 21, 2020Updated 5 years ago
- Automatic Sports Trading Card Grading☆61Apr 14, 2020Updated 6 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.
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆84Nov 12, 2020Updated 5 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Mar 24, 2023Updated 3 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 5 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆21Nov 2, 2023Updated 2 years ago
- ☆16Aug 14, 2019Updated 6 years ago
- Protein surface topographical mapping tool☆30Aug 17, 2023Updated 2 years ago
- 3D ligand-based pharmacophore modeling☆53Updated this week
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 4 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆46Aug 30, 2020Updated 5 years 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.
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Apr 7, 2023Updated 3 years ago
- A heterogeneous OpenCL implementation of AutoDock Vina☆89Oct 27, 2023Updated 2 years ago
- ☆77Sep 19, 2022Updated 3 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
- Extended Connectivity Interaction Features☆31Sep 23, 2021Updated 4 years ago
- Codes to use funnel-metadynamics and funnel metadynamics automated protocol☆31Dec 19, 2021Updated 4 years ago
- ☆11Oct 1, 2021Updated 4 years ago