Reverse Dependencies of mendeleev

The following projects have a declared dependency on mendeleev:

• abnativ — AbNatiV: a VQ-VAE-based assessment of the nativeness of antibodies.
• APT-stats — Python Tool for APT Mass Statistics
• ase2sprkkr — ASE (atomic simulation environment) interface to SPRKKR
• atomai — Deep and machine learning for atom-resolved data
• atoMEC — KS-DFT average-atom code
• atomistic — Build atomistic structures such as grain boundaries with Python
• basisopt — Automatic basis set optimization for quantum chemistry
• Bliss — BeamLine Instrumentation Support Software
• bpforms — Unambiguous representation of modified DNA, RNA, and proteins
• calphy — free energy calculation for python
• castep-parse — Input file writers and output file parsers for the density functional theory code CASTEP.
• CASTING — A continuous action space tree search for inverse design (CASTING)
• Chem-I-Calc — no summary
• chemtools — Python tools for quantum chemical calculations
• CombineMols — Easy to combine two molecules
• crystal-functions — Functions to be used with the CRYSTAL code.
• CRYSTALpytools — Python tools for the CRYSTAL code developed and mantained by the CRYSTAL code developers.
• crystex — no summary
• darklim — DM Limit Setting and Sensitivity
• faenet — PyTorch implementation for FAENet from 'FAENet: Frame Averaging Equivariant GNN for Materials Modeling'
• fireballpy — Minimalistic Fireball for Python
• fO2calculate — A python library for calculating the oxygen fugacity of metal-silicate systems using non-ideal activities for Fe-FeO and Si-SiO2 equilibria.
• lasertram — For processing LA-ICP-MS data
• lobsterpy — Package for automatic bonding analysis with Lobster/VASP
• masci_tools — masci-tools is a collection of tools for materials science.
• maxrf4u — Explore your X-Ray Fluorescence spectral images
• mgktools — Marginalized graph kernel library for molecular property prediction
• moseley — Simulating XRF spectra to better understand them
• nfflr — neural force field learning toolkit
• owlspec — Library for optical emission spectroscopy of low-temperature plasmas.
• parsetta — Collection of data parsers and utilities functions
• perovgen — Automated VASP Program with Pymatgen and Aflow
• phaseshifts — Python-based version of the Barbieri/Van Hove phase shift calculation package for LEED/XPD modelling
• phast — no summary
• protein-topmodel — validate molecular structure models
• pydft — pydft
• pyiets — A tool for calculating inelastic tunneling spectra
• pyiron-atomistics — An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX and VASP.
• pyzik — functions packages for my physic's students
• qmctorch — Pytorch Implementation of Quantum Monte Carlo
• quasigraph — quasigraph: Chemical and Geometric Descriptor Toolkit for Machine Learning Models.
• rbssim2 — Backscattering simulation
• saoovqe — SA-OO-VQE method implemented via Qiskit library
• SeanFunctions — Collection of useful python functions
• simtool — Functions for creating and running sim2Ls
• solvate-step — solvate_step
• undi — Muon-Nuclear Dipolar Interaction
• wc-utils — Utilities for whole-cell modeling
• westpy — Python analysis tools for WEST
• zeff — An effective nuclear charge calculator