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rnaimehaom's Projects

lipophilicity-prediction icon lipophilicity-prediction

Code for "Lipophilicity Prediction with Multitask Learning and Molecular Substructures Representation" paper. Machine Learning for Molecules Workshop @ NeurIPS 2020

listo icon listo

LIDeB's Standardization Tool is a WebApp to standardize SMILES based in MOLVS

litemol icon litemol

A library/plugin for handling 3D structural molecular data (not only) in the browser.

litemort icon litemort

A memory efficient GBDT on adaptive distributions. Much faster than LightGBM with higher accuracy. Implicit merge operation.

liver_saver_app icon liver_saver_app

App for on demand generation of liver injury risk labels for FDA approved pharmaceutical drugs

lmn icon lmn

Inference for Linear Models with Nuisance Parameters.

localretro icon localretro

Retrosynthesis Prediction by Learning the Local Chemical Reactivity with Nonlocal Attention

locomock icon locomock

LogP-corrected Membrane Docking for Ligand-Protein Complexes

logd74 icon logd74

A high-quality hand-curated logD7.4 dataset of 1,130 compounds

logexpert icon logexpert

Windows tail program and log file analyzer.

loop_modeling icon loop_modeling

A loop modeling benchmark capture containing the benchmark dataset and benchmarked protocol captures.

loopcaller icon loopcaller

LoopCaller: a comprehensive pipeline to call targeted 3D chromatin loops with mixed model

loops icon loops

Loop Modeling in protein structures

loopstructural icon loopstructural

LoopStructural is an open-source 3D structural geological modelling library.

lpsolve icon lpsolve

R Interface to 'Lp_solve' v. 5.5 to Solve Linear/Integer Programs

ls1-mardyn icon ls1-mardyn

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 icon lsa

LSA: a local-weighted structure alignment tool for pharmaceutical virtual screening

lsc icon lsc

Large-scale comparison of machine learning methods for drug target prediction on ChEMBL

lshr icon lshr

Locality Sensitive Hashing In R

lstm_chem icon lstm_chem

Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.

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