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Code for "Lipophilicity Prediction with Multitask Learning and Molecular Substructures Representation" paper. Machine Learning for Molecules Workshop @ NeurIPS 2020
LIDeB's Standardization Tool is a WebApp to standardize SMILES based in MOLVS
A library/plugin for handling 3D structural molecular data (not only) in the browser.
A memory efficient GBDT on adaptive distributions. Much faster than LightGBM with higher accuracy. Implicit merge operation.
ML Predictor for Drug-induced Liver Injury (DILI)
App for on demand generation of liver injury risk labels for FDA approved pharmaceutical drugs
Data and code for rodent hepatotoxicity prediction
Inference for Linear Models with Nuisance Parameters.
Design a local part of a protein
ColabFold on your local PC
Retrosynthesis Prediction by Learning the Local Chemical Reactivity with Nonlocal Attention
LogP-corrected Membrane Docking for Ligand-Protein Complexes
A high-quality hand-curated logD7.4 dataset of 1,130 compounds
Windows tail program and log file analyzer.
High throughput modeling of non-terminal missing residues for PDB structures
A loop modeling benchmark capture containing the benchmark dataset and benchmarked protocol captures.
LoopCaller: a comprehensive pipeline to call targeted 3D chromatin loops with mixed model
Loop Modeling in protein structures
LoopStructural is an open-source 3D structural geological modelling library.
R Interface to 'Lp_solve' v. 5.5 to Solve Linear/Integer Programs
ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.
LSA: a local-weighted structure alignment tool for pharmaceutical virtual screening
Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
Locality Sensitive Hashing In R
Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.
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.