rnaimehaom Goto Github PK
Type: User
Type: User
mirror of https://bitbucket.org/AstexUK/pli
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
The pls R package
A Nanome RDKit Plugin to view and compare computed chemical properties of ligands.
Scripts, tools for using PLUMED for enhanced sampling techniques in molecular simulation
MHC-I epitope presentation prediction based on transfer learning
3D pharmacophore signatures and fingerprints
Pharmacometric Tools for Modeling & Simulation
The PNNL Biodiversity Plugin is a software tool for Skyline and is designed to allow pathway-centric browsing of peptides previously identified by LC-MS/MS. The plugin is designed to assist in SRM assay design or DIA data analysis. Users select an organism and biological pathway of interest, then the plugin shows information about the associated peptides. In total the Biodiversity Library catalogs MS/MS spectra from 2 million peptides and 200,000 proteins from over 118 distict organisms. Users can optionally import peptide data for selected proteins into Skyline to extend their local copy of the Biodiversity Library.
An Interactive Protein Design VR Game
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
(Python, R, C) Poisson matrix factorization (non-Bayesian version) (recommender systems)
Automatically Adjudicate Any And All Arbitrary Annotations, Astutely Adjoin Abutting Alignments, And Also Amputate Anything Amiss (AAAAAAAAAAAAAAAA)
Transfer Learned Neural Net for Polymer Generation from SmallDataset
Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"
Portable Batch environment
Predicting tissue distribution of highly lipophilic compounds
Powerful genetic alogrithm library for C++
Partial profile score feature selection in high-dimensional generalized linear interaction models
Practical Cheminformatics Tutorials
A testing workbench for evaluating Precision-Recall curves in R
an R package for deriving Prediction Rule Ensembles
An R library for accurate and fast calculations of Precision-Recall and ROC curves
Machine learning protocols for identifying biological activity determinants in the structural and chemical features of a set of small molecules that have been assayed. Useful for structure-activity relationship analysis of compounds identified by Screenlamp and other screening approaches. See Raschka et al. (2018) (ISBN 1-4939-7755-5)
This challenge aims to predict interactions between atoms. A fast and reliable method to predict these interactions will allow medicinal chemists to gain structural insights faster and cheaper, enabling scientists to understand how the 3D chemical structure of a molecule affects its properties and behavior.
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.