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Multi-category angle-based large-margin classifiers
Fast Best-Subset Selection Library
accelerated molecular dynamics simulation
Study materials about "Deep Learning for Molecular Applications".
Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method, which is designed to evaluate the binding affinities between each protein and the given small molecule. ACID is open to the public and shows great potential.
A deep learning model to predict anticancer peptides.
ACPred: A Sequence-Based Tool for Predicting Anticancer Peptides
OFFICIAL: AnteChamber PYthon Parser interfacE
ACSESS is the Algorithm for Chemical Space Exploration with Stochastic Search, which is developed by Dr. Aaron M. Virshup in Beratan Group.
Develop predictive models that can determine, given a particular compound, whether it is active (1) or not (0).
Integrative pathway enrichment analysis of multivariate omics data
Predictive Models for Acute Oral Systemic Toxicity.
Code to submit to the TDC competition at https://tdcommons.ai/benchmark/admet_group/19ld50/
Adan: Adaptive Nesterov Momentum Algorithm for Faster Optimizing Deep Models
A Complete Toolbox for Adaptive and Hybrid Genetic Algorithms in R
ADAPT is designed for the inverse parameter identification of constitutive material models using mathmatical optimisation. It is designed to work with finite element simulations but its modular implementation offers an interface to basically any simulation framework. The tool is able to use global data such as forces as well as local data such as strain or displacement fields for the model calibration. The latter one is based on a robust interpolation scheme for irregular data sets and meshes/query points.
AutoDock CrankPep for peptide and disordered protein docking
Python package for docking peptides
Add missing residue to pdb files
This code adds custom-made amino acids to the GROMACS forcefield directory.
adegenet: a R package for the multivariate analysis of genetic markers
Adjacency-constrained hierarchical clustering of a similarity matrix
A machine learning model to estimate ADMET for non-human targets
Drug-induced liver injury (DILI) is fatal liver disease caused by drugs and it has been the single most frequent cause of safety-related drug marketing withdrawals for the past 50 years (e.g. iproniazid, ticrynafen, benoxaprofen). The DILI dataset is aggregated from U.S. FDA’s National Center for Toxicological Research. Given a drug SMILES string, predict whether it can cause liver injury (1) or not (0).
Python implementation of common ADME properties.
Used for ADME\T attribute prediction
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.