Ligand-based Virtual Screening using Deep Learning
☆16Mar 25, 2025Updated last year
Alternatives and similar repositories for DeepLBVS
Users that are interested in DeepLBVS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Parallelized Open Babel & Autodock suite Pipeline☆24Mar 15, 2018Updated 8 years ago
- Automatic prototype based drug generation☆13Feb 13, 2018Updated 8 years ago
- screenlamp is a Python toolkit for hypothesis-driven virtual screening☆24Mar 19, 2018Updated 8 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Sep 28, 2014Updated 11 years ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 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.
- Virtual screening and cheminformatics utilities☆14Jan 20, 2016Updated 10 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆115Jul 25, 2024Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated 10 months ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 7 months ago
- Models for COVID data from Johns Hopkins CSSE, the COVID 19 tracking project, and other data sources☆12Jan 14, 2021Updated 5 years ago
- HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS☆32Aug 15, 2023Updated 2 years ago
- Developing Interactive Visualization Tools for Model-Supported R&D☆11Oct 10, 2019Updated 6 years ago
- Developing a Deep learning classification-based model for screening pharmaceutical compounds with hERG inhibitory activity (cardiotoxicit…☆14Oct 2, 2024Updated last year
- Boosting Docking-Based Virtual Screening with Deep Learning☆32Apr 2, 2020Updated 6 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.
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆13Jul 27, 2024Updated last year
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆11Nov 26, 2022Updated 3 years ago
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 7 years ago
- The App Store for VMD extensions.☆14Jan 14, 2023Updated 3 years ago
- WPF UserControl realize virtualization ListView element supported changing, sorting and filtering☆13Nov 2, 2018Updated 7 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments☆13Aug 11, 2025Updated 8 months ago
- Confidence In Network Meta-Analysis☆14Jun 24, 2021Updated 4 years ago
- Script to facilitate the making of horizontal scripts☆18May 25, 2024Updated last year
- 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.
- ☆10Oct 2, 2022Updated 3 years ago
- Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data☆10Feb 7, 2017Updated 9 years ago
- Scripts used for virtual screening of small molecule inhibitors from ZINC database using Autodock Vina☆16Aug 25, 2014Updated 11 years ago
- Human Protein Atlas - Single Cell Classification 2nd place solution Dual Head pipeline☆13May 25, 2021Updated 4 years ago
- Processed Cell Painting Data for the LINCS Drug Repurposing Project☆33Aug 4, 2022Updated 3 years ago
- Data and codes for BioBERT-MRC☆11Oct 5, 2021Updated 4 years ago
- Novel molecules generation with LSTM☆18Sep 2, 2020Updated 5 years ago
- ☆11Nov 21, 2022Updated 3 years ago
- Augmented Reality App☆10Nov 24, 2016Updated 9 years ago
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 6 months ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 2 years ago
- ☆53Feb 26, 2017Updated 9 years ago
- Relation extraction for protein to protein interactions to extraction strongly typed PPI relations.. My research topic.. So work in progr…☆16Nov 28, 2022Updated 3 years ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Jan 29, 2015Updated 11 years ago
- An MPI based parallel implementation of Autodock Vina☆17Apr 3, 2020Updated 6 years ago
- Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready f…☆12Dec 29, 2023Updated 2 years ago