ml-evs/ml-evs.github.io

Personal website for Matthew Evans.

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ml-evs/CV

My TeX CV built with moderncv.

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ml-evs/OPTIMADE Fork of Materials-Consortia/OPTIMADE

Specification of a common REST API for access to materials databases

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ml-evs/codebox-api Fork of shroominic/codebox-api

📦 CodeBox is the simplest cloud infrastructure for your LLM Apps and Services.

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ml-evs/optimade-gnome

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ml-evs/materials-consortia.github.io Fork of Materials-Consortia/materials-consortia.github.io

OPTIMADE website

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ml-evs/this-material-does-not-exist

Vote on whether you think predicted crystal structures could be synthesised

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ml-evs/atomate2 Fork of materialsproject/atomate2

atomate2 is a library of computational materials science workflows

Size: 303 MB - Last synced: 2 months ago - Pushed: 2 months ago - Stars: 0 - Forks: 0

ml-evs/Xerus Fork of pedrobcst/Xerus

XRay Estimation and Refinement Using Similarity (XERUS)

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ml-evs/vfmcppar

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ml-evs/zeiss_tiff_meta Fork of ks00x/zeiss_tiff_meta

reading metadata from Zeiss SEM tiff files

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ml-evs/the-turing-way Fork of the-turing-way/the-turing-way

Host repository for The Turing Way: a how to guide for reproducible data science

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ml-evs/python-optimade-candidate-reference-implementation Fork of rartino/python-optimade-server

Python OPTIMaDe Candidate Reference Implementation

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ml-evs/schemas Fork of Materials-Consortia/schemas

This repository hosts the permanent URLs to OPTIMADE schemas

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ml-evs/usgs-commodities

Looking for contributors! Community-sourced data extracted from the USGS Mineral Commodity summaries https://www.usgs.gov/centers/nmic/commodity-statistics-and-information

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ml-evs/tensorflow-char-rnn Fork of crazydonkey200/tensorflow-char-rnn

Char-RNN implemented using TensorFlow.

Language: Python - Size: 5.55 MB - Last synced: 2 months ago - Pushed: almost 7 years ago - Stars: 0 - Forks: 0

ml-evs/spglib Fork of spglib/spglib

C library for finding and handling crystal symmetries

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ml-evs/q-e Fork of QEF/q-e_old

NOT the official mirror of Quantum ESPRESSO

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ml-evs/talk_BEEF_esdg_10.18

A talk given at the Electronic Structure Discussion Group at TCM.

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ml-evs/python-ternary Fork of marcharper/python-ternary

:small_red_triangle: Ternary plotting library for python with matplotlib

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ml-evs/providers Fork of Materials-Consortia/providers

This repository hosts the providers.json file for OPTIMADE that lists reserved database-specific prefixes and URLs to the index databases of all database providers that participate in the OPTIMADE network

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ml-evs/perovskitedatabase Fork of Jesperkemist/perovskitedatabase

Size: 14.9 MB - Last synced: 2 months ago - Pushed: over 2 years ago - Stars: 1 - Forks: 0

ml-evs/poster_template

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ml-evs/optimade-python-tools Fork of Materials-Consortia/optimade-python-tools

Tools for implementing and consuming OPTIMADE APIs in Python

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ml-evs/polybar-spotify Fork of Jvanrhijn/polybar-spotify

🎶 Spotify artist and song module for Polybar

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ml-evs/PASCal Fork of MJCliffe/PASCal

Codebase for PASCal strain calculator

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ml-evs/optimade-misc-datasets

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ml-evs/PandocCiter Fork of notZaki/PandocCiter

Visual Studio Code extension for autocompleting citations for Pandoc/Markdown documents

Size: 239 KB - Last synced: 2 months ago - Pushed: almost 3 years ago - Stars: 0 - Forks: 0

ml-evs/optimade-validator-binder

A meta-repo that contains a Jupyter notebook that can be used to call the optimade-python-tools validator.

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ml-evs/optimade-paper-example-applications Fork of Materials-Consortia/optimade-paper-example-applications

Size: 357 KB - Last synced: 2 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0

ml-evs/optimade-feedstock Fork of conda-forge/optimade-feedstock

A conda-smithy repository for optimade.

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ml-evs/optimade-python-tools-demo

Language: Jupyter Notebook - Size: 138 KB - Last synced: 2 months ago - Pushed: almost 3 years ago - Stars: 0 - Forks: 0

ml-evs/pandas Fork of pandas-dev/pandas

Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more

Size: 196 MB - Last synced: 2 months ago - Pushed: over 3 years ago - Stars: 0 - Forks: 0

ml-evs/mrsimulator Fork of deepanshs/mrsimulator

A fast solid-state NMR spectrum simulation and analysis library.

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ml-evs/nbconvert Fork of jupyter/nbconvert

Jupyter Notebook Conversion

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ml-evs/matbench Fork of materialsproject/matbench

MatBench: Benchmark for materials science property prediction

Language: Python - Size: 190 MB - Last synced: 2 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 1

ml-evs/optados Fork of optados-developers/optados

Official Repository of the Optados code

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ml-evs/modnet Fork of ppdebreuck/modnet

MODNet: a framework for machine learning materials properties

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ml-evs/moderncv Fork of xdanaux/moderncv

A modern curriculum vitae class for LaTeX

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ml-evs/necroptimade

Spawn and revive OPTIMADE APIs from static data.

Language: Python - Size: 61.5 KB - Last synced: 2 months ago - Pushed: over 1 year ago - Stars: 1 - Forks: 0

ml-evs/megnet Fork of lauri-codes/megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Language: Python - Size: 17.4 MB - Last synced: 2 months ago - Pushed: almost 5 years ago - Stars: 0 - Forks: 0

ml-evs/minima Fork of jekyll/minima

Minima is a one-size-fits-all Jekyll theme for writers.

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ml-evs/lammps Fork of lammps/lammps

Public development project of the LAMMPS MD software package

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ml-evs/linkml-registry Fork of linkml/linkml-registry

Registry of schemas that use LinkML

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ml-evs/maggma Fork of materialsproject/maggma

MongoDB aggregation machine

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ml-evs/impedance.py Fork of ECSHackWeek/impedance.py

A Python package for working with electrochemical impedance data

Language: Python - Size: 5.73 MB - Last synced: 2 months ago - Pushed: almost 3 years ago - Stars: 0 - Forks: 0

ml-evs/fastapi Fork of tiangolo/fastapi

FastAPI framework, high performance, easy to learn, fast to code, ready for production

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ml-evs/emmo-repo.github.io Fork of emmo-repo/emmo-repo.github.io

GitHub Pages repository for EMMO releases and documentation

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ml-evs/ilustrado

High-throughput crystal structure prediction with genetic algorithms.

Language: Python - Size: 636 KB - Last synced: 2 months ago - Pushed: almost 4 years ago - Stars: 2 - Forks: 3

ml-evs/amptorch Fork of ulissigroup/amptorch

AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch

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ml-evs/datalab Fork of the-grey-group/datalab

datalab is a place to store experimental data and the connections between them.

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ml-evs/api Fork of materialsproject/api

New API client for the Materials Project

Language: Python - Size: 2.1 MB - Last synced: 2 months ago - Pushed: 3 months ago - Stars: 0 - Forks: 0

ml-evs/coc.nvim Fork of neoclide/coc.nvim

Intellisense engine for vim8 & neovim, full language server protocol support as VSCode

Language: TypeScript - Size: 8.13 MB - Last synced: 2 months ago - Pushed: almost 5 years ago - Stars: 0 - Forks: 0

ml-evs/bluesky Fork of bluesky/bluesky

experiment orchestration and data acquisition

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ml-evs/castepxbin Fork of zhubonan/castepxbin

Reading binary files generated by CASTEP in Python

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ml-evs/data.potassium-phosphides

Language: Jupyter Notebook - Size: 1.54 MB - Last synced: 2 months ago - Pushed: almost 4 years ago - Stars: 0 - Forks: 0

ml-evs/aiida-castep Fork of zhubonan/aiida-castep

Interface with AiiDA to automate CASTEP calculations and preserve their provenance.

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ml-evs/big-map-registry Fork of BIG-MAP/big-map-registry

Registry for BIG-MAP apps and codes.

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ml-evs/c2x2py

Language: Python - Size: 6.84 KB - Last synced: 2 months ago - Pushed: over 4 years ago - Stars: 0 - Forks: 0

ml-evs/maml Fork of materialsvirtuallab/maml

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

Size: 130 MB - Last synced: 2 months ago - Pushed: 10 months ago - Stars: 1 - Forks: 0

ml-evs/rstcheck-core Fork of rstcheck/rstcheck-core

Core library behind rstcheck.

Language: Python - Size: 941 KB - Last synced: 2 months ago - Pushed: 2 months ago - Stars: 0 - Forks: 0

ml-evs/jobflow Fork of materialsproject/jobflow

jobflow is a library for writing computational workflows.

Language: Python - Size: 90.3 MB - Last synced: 2 months ago - Pushed: 3 months ago - Stars: 0 - Forks: 0

ml-evs/NewareNDA Fork of Solid-Energy-Systems/NewareNDA

Python module and command line tool for reading and converting Neware nda and ndax battery cycling data files.

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ml-evs/galvani Fork of echemdata/galvani

Read proprietary file formats from electrochemical test stations

Language: Python - Size: 198 KB - Last synced: 2 months ago - Pushed: 4 months ago - Stars: 0 - Forks: 0

ml-evs/modnet-matbench Fork of modl-uclouvain/modnet-matbench

Data repository accompanying De Breuck et al., "Robust model benchmarking and bias-imbalance in data-driven materials science: a case study on MODNet"

Size: 321 MB - Last synced: 2 months ago - Pushed: about 2 years ago - Stars: 3 - Forks: 0

ml-evs/matador

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

Language: Python - Size: 40.4 MB - Last synced: 11 days ago - Pushed: 4 months ago - Stars: 28 - Forks: 19

ml-evs/optimade-stability-namespace

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ml-evs/airss-m3gnet-test Fork of zhubonan/airss-m3gnet-test

Using pre-trained M3GNet machine learning potential for random structure searching

Language: Jupyter Notebook - Size: 37.7 MB - Last synced: 2 months ago - Pushed: 9 months ago - Stars: 1 - Forks: 0

ml-evs/best-of-atomistic-machine-learning Fork of JuDFTteam/best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning libraries ⚛️🧬💎.

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ml-evs/vfmcpp

Language: C++ - Size: 12.1 MB - Last synced: 2 months ago - Pushed: almost 8 years ago - Stars: 1 - Forks: 0

ml-evs/marda

Language: Python - Size: 10.7 KB - Last synced: 2 months ago - Pushed: 11 months ago - Stars: 0 - Forks: 0

ml-evs/cheminventory_python Fork of marcosfelt/cheminventory_python

A python wrapper for programatically accessing ChemInventory

Size: 134 KB - Last synced: 2 months ago - Pushed: over 1 year ago - Stars: 0 - Forks: 0

ml-evs/discover-mc3d-react Fork of materialscloud-org/discover-mc3d-react

Discover app of MC3D developed with react.js

Size: 36.5 MB - Last synced: 2 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0

ml-evs/odbx.science

An OPTIMADE implementation for @AJMGroup using https://github.com/Materials-Consortia/optimade-python-tools

Language: Python - Size: 270 KB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 2 - Forks: 3

ml-evs/alexandria-optimade

Language: Python - Size: 22.5 KB - Last synced: 2 months ago - Pushed: 8 months ago - Stars: 0 - Forks: 0

ml-evs/git-tutorial

An introduction to git and version control, initially written for the Part II Computational Physics course at the Cavendish Laboratory.

Language: Jupyter Notebook - Size: 2.49 MB - Last synced: 2 months ago - Pushed: about 3 years ago - Stars: 9 - Forks: 3

ml-evs/dist-matrix Fork of sparks-baird/dist-matrix

Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.

Language: Python - Size: 90.8 KB - Last synced: 2 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0

ml-evs/spgrep Fork of spglib/spgrep

On-the-fly generator of space-group irreducible representations

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ml-evs/chemnlp Fork of OpenBioML/chemnlp

ChemNLP project

Language: Jupyter Notebook - Size: 128 KB - Last synced: 2 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0

ml-evs/qmpy Fork of wolverton-research-group/qmpy

A suite of computational materials science tools.

Size: 66 MB - Last synced: 2 months ago - Pushed: over 2 years ago - Stars: 1 - Forks: 0

ml-evs/ml-evs

Size: 8.79 KB - Last synced: 2 months ago - Pushed: 2 months ago - Stars: 0 - Forks: 0

ml-evs/matminer Fork of hackingmaterials/matminer

Data mining for materials science

Language: HTML - Size: 36.9 MB - Last synced: 2 months ago - Pushed: 12 months ago - Stars: 0 - Forks: 0

ml-evs/pymatgen Fork of materialsproject/pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

Language: Python - Size: 875 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 0 - Forks: 0

ml-evs/.dotfiles

Language: Shell - Size: 4.88 MB - Last synced: 2 months ago - Pushed: 4 months ago - Stars: 2 - Forks: 0

ml-evs/chem_wasserstein Fork of sparks-baird/chem_wasserstein

A high performance mapping class to construct ElM2D plots from large datasets of inorganic compositions.

Size: 2.32 MB - Last synced: 2 months ago - Pushed: almost 2 years ago - Stars: 0 - Forks: 0

ml-evs/mongomock Fork of mongomock/mongomock

Small library for mocking pymongo collection objects for testing purposes

Language: Python - Size: 2.79 MB - Last synced: 2 months ago - Pushed: 5 months ago - Stars: 0 - Forks: 0

ml-evs/pubstomp

An arXiv paper semantic recommender system initiated at Hack Cambridge 2019, hopefully continued afterwards!

Language: Python - Size: 2.52 MB - Last synced: 2 months ago - Pushed: over 5 years ago - Stars: 0 - Forks: 0