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A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
A free, open-source tool for modeling chemical reaction networks in Python
OpenSEEKR is an extension of the SEEKR suit of open-source scripts and tools designed to enable researchers to perform multiscale computation of the kinetics of molecular binding, unbinding, and transport using a combination of molecular dynamics, Brownian dynamics, and milestoning theory.
Open Standard for the SMARTS chemical query language (Extends OpenSMILES)
The OpenSMILES specification
OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.
Optimization of kinetic parameters of reactions included in a detailed kinetic mechanism
Catalog of Open Source Molecular Modeling Projects
OpenSSL bindings for R
A tool for systematic conformer generation
ToxCast database exposed throgh an OpenTox API • http://toxcast-api.cloud.douglasconnect.com/beta/ui/
Extensible, parallel implementations of t-SNE
We are designing a model using CNN+GCN to predict the likely degradation rates at each base of an RNA molecule, trained on a subset of an Eterna dataset comprising over 3000 RNA molecules (which span a panoply of sequences and structures) and their degradation rates at each position. We will then score our models on a second generation of RNA sequences that have just been devised by Eterna players for COVID-19 mRNA vaccines.
An open source and modular workstation concept for life science automation
openxlsx - a fast way to read and write complex xslx files
openxlsx2 - read, write and modify xlsx files
Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.
Web service wrapper for OPERA - a free and open source QSAR tool for predicting physicochemical properties and environmental fate endpoints
PyPI package containing opposition learning operators and population initializers for evolutionary algorithms
Prioritize conservation projects for funding
Project for integration of OPS and the Knime workflow engine
Calculated optimal designs for single variable models with the cocktail algorithm
Input- hand-drawn image of molecule... Output- SMILES format molecule name
It uses optimisation algorithms to maximise protein solubility with constrained mutation to protein sequence.
Unified Framework for Numerical Optimizer in R
CLI image optimization tool
Optimization of binding affinities in chemical space for drug discovery
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.