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leadd

Lamarckian Evolutionary Algorithm for de novo Drug Design

learn_machine_learning_in_3_months

This is the code for "Learn Machine Learning in 3 Months" by Siraj Raval on Youtube

learning-bioinformatics-at-home

resources for learning bioinformatics

lib-invent

lib-invent-dataset

lib_prep

Python package to analyse and prepare libraries of chemical compounds for molecular simulations.

ligan

Deep generative models for structure-based drug discovery

ligandmmpa

Prepare and fragmentate ligands for matched-molecular pair analysis

ligandnet

LigandNet, a tool which combines different machine learning models into one platform for the prediction of the state of the ligands either actives or inactives for a particular proteins.

ligpargen

ligtmap

LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.

lillymol

LillyMol Public Code

lipophilicity-prediction

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

localcolabfold

ColabFold on your local PC

localretro

Retrosynthesis Prediction by Learning the Local Chemical Reactivity with Nonlocal Attention

lsc

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

lstm_chem

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

lucnorm

R code for the normalization of reporter data from transient transfection experiments

lung

Lung fibrosis and inflammation CNN

machine-learning

머신러닝 입문자 혹은 스터디를 준비하시는 분들에게 도움이 되고자 만든 repository입니다. (This repository is intented for helping whom are interested in machine learning study)

machine-learning-1

machine-learning-for-proteins

Listing of papers about machine learning for proteins.

machine-learning-meets-pka

machine-learning-with-python-cookbook

파이썬을 활용한 머신러닝 쿡북

machine_learning_practice

Practicing basic ML algorithms on simple datasets

madewithml

Learn how to responsibly deliver value with ML.

making-it-rain

Cloud-based molecular simulations for everyone

mamba

The Fast Cross-Platform Package Manager

mdanalysiscookbook

Examples and tutorials of using MDAnalysis

mdpow

Calculation of water/solvent partition coefficients with Gromacs.