PyQSAR is Python package for feature selection
☆10Nov 27, 2023Updated 2 years ago
Alternatives and similar repositories for pyqsar_tutorial
Users that are interested in pyqsar_tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fungal genome assembly and annotation from Illumina short reads, ONT or PacBio HiFi long reads, a hybrid of short and long reads, or an e…☆15Updated this week
- ☆37Mar 31, 2023Updated 3 years ago
- A plugin for Flask Appbuilder, Keycloak, and Azure AD☆10Mar 28, 2022Updated 4 years ago
- DSResSol: A sequence-based solubility predictor created with Dilated Squeeze Excitation Residual Networks☆12May 30, 2024Updated 2 years ago
- A CDK-based library for generating Scaffold Trees and Scaffold Networks☆13Oct 26, 2023Updated 3 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.
- Script developed to extract information from xml files including chemical reactions from US patents (1976-Sep2016) curated by Daniel M Lo…☆11Sep 18, 2025Updated last year
- ☆15Jul 5, 2022Updated 4 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 6 years ago
- Molecular Dynamic Graph Neural Network☆20Aug 5, 2021Updated 5 years ago
- ☆13Nov 15, 2020Updated 5 years ago
- ☆12Jan 2, 2021Updated 5 years ago
- ☆14Sep 4, 2021Updated 5 years ago
- ☆13Aug 5, 2025Updated last year
- ☆17Mar 11, 2023Updated 3 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.
- Study materials about "Deep Learning for Molecular Applications".☆15Aug 5, 2019Updated 7 years ago
- ☆11Oct 3, 2026Updated last month
- This tool audits a website before hand and can exploit vulnerabilities if the website scanned has any.☆14Jul 3, 2013Updated 13 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Jan 28, 2022Updated 4 years ago
- ☆12Jun 3, 2019Updated 7 years ago
- The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…☆36Feb 3, 2026Updated 9 months ago
- Multi-Level DBSCAN: A Hierarchical Density-Based Clustering Method for Analyzing Molecular Dynamics Trajectories☆13Dec 6, 2020Updated 5 years ago
- a tool for protein-ligand binding affinity prediction☆39Mar 12, 2023Updated 3 years ago
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆48Jun 1, 2020Updated 6 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.
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Aug 6, 2021Updated 5 years ago
- Cryptic pocket prediction using AlphaFold 2☆25Nov 27, 2022Updated 3 years ago
- Orchestrate your Databricks notebooks in Airflow and execute them as Databricks Workflows☆24Sep 3, 2025Updated last year
- GUI kuberentes config file manager app. It automatically resolve your cloud profiles and suggest registable clusters.☆14Jun 27, 2024Updated 2 years ago
- Starting point for the CCA Summer School's autonomous drone programming☆13Aug 5, 2015Updated 11 years ago
- A novel method that quantitatively evaluates the impact of PLM in PLI predictions.☆12Sep 14, 2023Updated 3 years ago
- Capture Screenshots for App Store on unity☆13Jun 23, 2020Updated 6 years ago
- A comprehensive C++ telomere annotation tool for genome assemblies and reads.☆20Oct 2, 2026Updated last month
- A sample project showing how to automate the deployment of Cloud Functions with Cloud Build on Google Cloud Platform.☆25Dec 22, 2021Updated 4 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.
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated 4 months ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆33Updated this week
- A repository to keep code for interaction frequency work going forwards.☆11Mar 21, 2022Updated 4 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Mar 9, 2021Updated 5 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆20Sep 2, 2022Updated 4 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆18Apr 16, 2026Updated 6 months ago
- Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in …☆19Aug 30, 2022Updated 4 years ago