Reverse Dependencies of monty
The following projects have a declared dependency on monty:
- amset — AMSET is a tool to calculate carrier transport properties from ab initio calculation data
- atomate — atomate has implementations of FireWorks workflows for Materials Science
- atomate2 — atomate2 is a library of materials science workflows
- atomicds — API client for Atomic Data Sciences.
- basisopt — Automatic basis set optimization for quantum chemistry
- beep — beep is a python package supporting Battery Estimation and Early Prediction of battery cycle life.
- cavd — Crystal structure Analysis by Voronoi Decomposition
- ChemScraper — Scraping chemical vendors for pricing/availability info.
- Cp2kData — A Small Package to Postprocess Cp2k Output
- custodian — A simple JIT job management framework in Python.
- dpdata — Manipulating data formats of DeePMD-kit, VASP, QE, PWmat, and LAMMPS, etc.
- dpgen — DP-GEN: The deep potential generator
- easyunfold — Collection of code for band unfolding
- emmet — Emmet is a builder framework for the Materials Project
- emmet-core — Core Emmet Library
- figrecipes — figrecipes is a tool for quickly creating interactive plots for data science.
- flamyngo — Flamyngo is a customizable Flask frontend for MongoDB.
- fwrlm — FireWorks RocketLauncher Manager
- gamma — gamma
- ggce — Numerically exact Generalized Green's Function Cluster Expansion
- hiperccat — tools for automating job creation and management for DFT calculations
- ifermi — Fermi surface plotting tool from DFT output
- imteksimfw — Fireworks additions
- irrep — A tool to get symmetry proberties of ab-initio wavefunctions, irreduible representations and more.
- jobflow — jobflow is a library for writing computational workflows
- lightshow — A one-stop-shop for writing computational spectroscopy input files
- m3gnet — Materials Graph with Three-body Interactions
- maggma — Framework to develop datapipelines from files on disk to full dissemenation API
- maml — maml is a machine learning library for materials science.
- matminer — matminer is a library that contains tools for data mining in Materials Science
- megnet — MatErials Graph Networks for machine learning of molecules and crystals.
- membrane-toolkit — Python tools for membrane science
- mispr — mispr contains FireWorks workflows for Materials Science
- mp-api — API Client for the Materials Project
- mrsimulator — A python toolbox for simulating fast real-time solid-state NMR spectra.
- nonrad — Implementation for computing nonradiative recombination rates in semiconductors
- polyhedral-analysis — A library for analysis of coordination polyhedra from molecular dynamics trajectories
- pumml — Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised positive and unlabeled (PU) machine learning to classify materials when data is incomplete and only examples of 'positive' materials are available.
- pydefect — Integrated environment for first-principles point-defect calculations
- pydefect-2d — Package for correcting defect formation energies and eigenvalues in two-dimensional materials
- pyEQL — Python tools for solution chemistry
- pyIcarus — Tools library for Security Research
- pyIClab — A python toolkit for ion chromatography
- pyiron-base — Core components of the pyiron integrated development environment (IDE) for computational materials science
- pylattica — pylattica is a package for fast prototyping of lattice models for chemistry and materials science
- pymatgen — Python Materials Genomics 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 (https://materialsproject.org).
- pymatgen-db — Pymatgen-db is a database add-on for the Python Materials Genomics (pymatgen) materials analysis library.
- pysisso — Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
- pytaser — TAS prediction tool
- pyxtal-ff — Python code for force field training of crystals
- qtoolkit — QToolKit is a python wrapper interfacing with job queues (e.g. PBS, SLURM, ...).
- quacc — A platform to enable high-throughput, database-driven quantum chemistry and computational materials science
- robocrys — Automatic generation of crystal structure descriptions
- shakenbreak — Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations.
- simsopt — Framework for optimizing stellarators
- site-analysis — MD analysis using site occupation trajectories
- smol — Lighthweight but caffeinated Python implementation of computational methods for statistical mechanical calculations of configurational states in crystalline material systems.
- SSHCustodian — A modification to the Custodian class in custodian (github.com/materialsproject/custodian) to allow for copying the temp_dir to other compute nodes via ssh.
- taburu — a module that supports an event-sourced system of tracking parameterizations of methods.
- turbomoleio — Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for TURBOMOLE.
- vasppy — Python utilities for working with VASP inputs and outputs
- VASPsol — A VASPsol python helper package to simplify calculations and analysis
- WFacer — An automated workflow for constructing cluster expansion.
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