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mcboost

Multi-Calibration & Multi-Accuracy Boosting for R

mceds

Minimum Common Domain for Enzymes - by eliminate confusion domains within multi-domain architecture

mcmf

Method of comparative molecular field

mcphd

mdanalysiscookbook

Examples and tutorials of using MDAnalysis

mdeepred

Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery

mdfp-herg

mdpow

Calculation of water/solvent partition coefficients with Gromacs.

mdtraj

An open library for the analysis of molecular dynamics trajectories

medchem-tools

Various R scripts for medicinal chemistry and drug discovery

medchem_moves

medium_mol

meeko

Interfacing RDKit and AutoDock

megamolbart

A deep learning model for small molecule drug discovery and cheminformatics based on SMILES

megan

Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"

melloddy-tuner

mem-codons-optimizer

A tool to perform codons optimization using the maximal exact match technique.

membrane-reactor

Membrane PBR in ACM

memlet

MEMLET is a Graphical User Interface designed to fit single molecule and other biophysical data using Maximum Likelihood Estimation

merantk

methylated RNA Tool Kit

merck

Merck Molecular Activity Challenge

mermaid

mesquitecore

The core Mesquite repository

meta-dataset

A dataset of datasets for learning to learn from few examples

meta-mgnn

Few-Shot Graph Learning for Molecular Property Prediction

metaheuristics-for-variable-selection-unsupervised-learning-

Algorithmes de selection de variables pour préparer un apprentissage non supervisé. La version finale du programme est sélectionne les prédicteurs les plus pertinents en effectuant un apprentissage à chaque génération. La métrique optimisée (dans le cadre du dataset utilisé) est l'accuracy. Nous avons testé les deux métaheuristiques sur un dataset de 1551 variables. || Two variable selection algorithms to prepare unsupervised learning. The final version of the program selects the variables by performing a learning at each generation. The optimized metric (in the context of the dataset used) is the accuracy rate.

metascreen

An R-package with a modular library for the design and analysis of drug combination screens

metfrag

Repo hosting the MetFrag website

metingear

An open source desktop application for creating and curating genome scale metabolic networks with chemical structure. This code was created by members of the Cheminformatics and Metabolism group, EMBL-EBI

metk

Model Evaluation Toolkit