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maml-1

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

mammoth

An Extendible (General) Continual Learning Framework based on Pytorch - official codebase of Dark Experience for General Continual Learning

manifold

Fast batch message passing between nodes for Erlang/Elixir.

manifold_mixup

Code for reproducing Manifold Mixup results (ICML 2019)

manifold_mixup-1

Tensorflow implementation of the Manifold Mixup machine learning research paper

manticore

Symbolic execution tool

mapreduce

C++ MapReduce Library for efficient multi-threading on single-machine

maptool

Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.

markov-lipschitz-deep-learning

markov-molecular-sampling

markov.sh

markov chains in ~20 lines of sh, grep, cut and awk

masci-tools

Tools, utility, parsers useful in daily material science work

masif

MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

mask-yolo

Inspired from Mask R-CNN to build a multi-task learning, two-branch architecture: one branch based on YOLOv2 for object detection, the other branch for instance segmentation. Simply tested on Rice and Shapes. MobileNet supported.

maskrcnn-benchmark

Fast, modular reference implementation of Instance Segmentation and Object Detection algorithms in PyTorch.

mass-ts

MASS (Mueen's Algorithm for Similarity Search) - a python 2 and 3 compatible library used for searching time series sub-sequences under z-normalized Euclidean distance for similarity.

massformer

Tandem Mass Spectrum Prediction with Graph Transformers

mat2spec

mat2vec

Supplementary Materials for Tshitoyan et al. "Unsupervised word embeddings capture latent knowledge from materials science literature", Nature (2019).

matador

⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.

matbench

Matbench: Benchmarks for materials science property prediction

matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.

matcalc

A python library for calculating materials properties

matdeeplearn

MatDeepLearn, package for graph neural networks in materials chemistry

matdesinne

Inverse materials design via invertible neural networks

material-design-icons

Material Design icons by Google

material_informatics

Basic components to perform material informatics: modeling (GPR, KRR, XGB, NN, RF, linear, and ensemble learning of them), backward prediction, multi target screening, etc.

materialdesigninxamltoolkit

Google's Material Design in XAML & WPF, for C# & VB.Net.

materials-modeling

Programming tutorials in Python3 for the Materials Modeling course at IISc-2018

materialsdiscoveryml