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
- screenlamp is a Python toolkit for hypothesis-driven virtual screening☆24Mar 19, 2018Updated 8 years ago
- Developing a Deep learning classification-based model for screening pharmaceutical compounds with hERG inhibitory activity (cardiotoxicit…☆15Oct 2, 2024Updated last year
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 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
- 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.
- Chemoinformatics tool for ligand-based virtual screening☆19Jan 11, 2023Updated 3 years ago
- Virtual screening and cheminformatics utilities☆14Jan 20, 2016Updated 10 years ago
- Code and documentation for QSAR modeling and virtual screening of small molecule TMPRSS2 inhibitors☆10Sep 16, 2020Updated 6 years ago
- 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
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆116Jul 25, 2024Updated 2 years ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated last year
- ☆15Mar 4, 2019Updated 7 years ago
- Developing Interactive Visualization Tools for Model-Supported R&D☆11Oct 10, 2019Updated 6 years ago
- HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS☆32Aug 15, 2023Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆15Jul 27, 2024Updated 2 years ago
- Boosting Docking-Based Virtual Screening with Deep Learning☆32Apr 2, 2020Updated 6 years ago
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 7 years ago
- Tensorflow Implementation of the paper "Topology Adaptive Graph Convolutional Networks" (Du et al., 2017)☆19Dec 3, 2025Updated 9 months ago
- The App Store for VMD extensions.☆15Jan 14, 2023Updated 3 years ago
- WPF UserControl realize virtualization ListView element supported changing, sorting and filtering☆13Nov 2, 2018Updated 7 years ago
- Augmented Reality App☆10Nov 24, 2016Updated 9 years ago
- Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments☆12Aug 11, 2025Updated last year
- Script to facilitate the making of horizontal scripts☆17May 25, 2024Updated 2 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 3 years ago
- ☆11Oct 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
- Human Protein Atlas - Single Cell Classification 2nd place solution Dual Head pipeline☆13May 25, 2021Updated 5 years ago
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Jan 29, 2015Updated 11 years ago
- Data and codes for BioBERT-MRC☆11Oct 5, 2021Updated 4 years ago
- Novel molecules generation with LSTM☆18Sep 2, 2020Updated 6 years ago
- ☆11Nov 21, 2022Updated 3 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 11 months 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.
- Scripts used for virtual screening of small molecule inhibitors from ZINC database using Autodock Vina☆17Aug 25, 2014Updated 12 years ago
- ☆53Feb 26, 2017Updated 9 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…☆15Dec 29, 2023Updated 2 years ago
- R-Ladies Dublin meetups slides and code☆12Feb 15, 2021Updated 5 years ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆40Sep 7, 2026Updated 2 weeks ago
- A collection of PyMOL plugins to visualize atomic bonds.☆22Sep 2, 2020Updated 6 years ago