Code and documentation for QSAR modeling and virtual screening of small molecule TMPRSS2 inhibitors
☆10Sep 16, 2020Updated 5 years ago
Alternatives and similar repositories for tmprss2
Users that are interested in tmprss2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- This repository contains a QSAR model that predicts the ability of a chemical compound to inhibit the gene associated with Alzheimer's, B…☆11Oct 1, 2021Updated 4 years ago
- This workflow includes Quantitative Structure-Activity Relationship (QSAR) models to predict the hERG-related cardiotoxicity of chemicals…☆10Jul 21, 2022Updated 4 years ago
- Repository of codes and data for Estrogen Receptor Alpha QSAR modeling☆19Mar 27, 2018Updated 8 years 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 3 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.
- PyMOL Plugin for displaying polar contacts☆20Mar 11, 2019Updated 7 years ago
- Scripts used for virtual screening of small molecule inhibitors from ZINC database using Autodock Vina☆17Aug 25, 2014Updated 12 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
- 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
- Source Code for ACL 2020 paper, "Rationalizing Medical Relation Prediction from Corpus-level Statistics"☆11Sep 6, 2020Updated 6 years ago
- Graphical User Interface to control a potentiostat☆15Mar 27, 2023Updated 3 years ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated last year
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆15Mar 4, 2019Updated 7 years ago
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆32Aug 27, 2024Updated 2 years ago
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆15Jul 27, 2024Updated 2 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Jan 28, 2022Updated 4 years ago
- This is a curve topology verification tool based on Fast Linking Numbers for Topology Verification of Loopy Structures.☆25Jan 31, 2026Updated 7 months ago
- ☆42Jan 1, 2024Updated 2 years ago
- notebook repository☆12Jan 17, 2022Updated 4 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- WPF UserControl realize virtualization ListView element supported changing, sorting and filtering☆13Nov 2, 2018Updated 7 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.
- auto archive script.☆15Apr 1, 2017Updated 9 years ago
- Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments☆12Aug 11, 2025Updated last year
- The mwtab package is a Python library that facilitates reading and writing files in mwTab format used by the Metabolomics Workbench for a…☆12Jul 28, 2026Updated last month
- Create acoustic diffusers with custom images!☆25Updated this week
- An Neural Networks based QSAR Model and a Connector to SSD☆10Sep 29, 2017Updated 8 years ago
- ☆60May 9, 2025Updated last year
- This is the web resource for NTU's Bio-Data Science and Education Laboratory☆14Aug 5, 2026Updated last month
- ☆30Mar 8, 2021Updated 5 years ago
- ☆10Apr 22, 2019Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Ligand-based Virtual Screening using Deep Learning☆16Mar 25, 2025Updated last year
- Code corresponding to our paper "Leveraging Dependency Forest for Neural Medical Relation Extraction" at EMNLP 2019☆20Nov 26, 2020Updated 5 years ago
- A deep learning framework for deubiquitnase-substrate interaction identification☆13Jul 31, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆42Mar 26, 2025Updated last year
- Assigning precursor-product ion relationships in indiscriminant MS/MS data☆13Apr 3, 2026Updated 5 months ago
- ☆32Jan 16, 2020Updated 6 years ago