Alternatives and similar repositories for applying-maths-book

Users that are interested in applying-maths-book are comparing it to the libraries listed below

• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆46Updated this week
• selimsami / qforce
  ☆60Updated last month
• lcmd-epfl / volcanic
  A program to automatically generate volcano plots for catalysis.
  ☆15Updated 8 months ago
• Allen-Tildesley / data
  Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…
  ☆15Updated 7 years ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆26Updated last year
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆48Updated 9 months ago
• radi0sus / orca_ir
  Plots IR spectra from from ORCA output files
  ☆22Updated 10 months ago
• SimonEnsemble / mpn_charges
  predicting charges on MOF atoms via a message passing MOFs
  ☆24Updated 5 years ago
• lmmentel / chemtools
  Python tools for quantum chemical calculations
  ☆20Updated last year
• molmd / mispr
  A software for automating materials science computations
  ☆31Updated 2 months ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆41Updated last year
• JFurness1 / EnergyLeveller
  A python script to plot an energy level diagram from an input file.
  ☆29Updated 4 years ago
• TheoChem-VU / PyFrag
  ☆21Updated this week
• BingqingCheng / ML-in-chemistry-101
  The course materials for "Machine Learning in Chemistry 101"
  ☆80Updated 4 years ago
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆10Updated 4 years ago
• grimme-lab / CPCM-X
  Extended conductor-like polarizable continuum solvation model
  ☆20Updated 5 months ago
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆39Updated last year
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆31Updated last month
• raghurama123 / NumericalMethodsOld
  Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…
  ☆12Updated 2 years ago
• moleview / moleview
  MoleView: A Fast and lightweight plug-in for 3D molecular visualization
  ☆30Updated 6 months ago
• WilmerLab / mofun
  ☆23Updated 2 years ago
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated last year
• usnistgov / intermat
  Project to setup and analyze interface calculations using density functional theory.
  ☆22Updated this week
• lcmd-epfl / cell2mol
  ☆26Updated 2 weeks ago
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆107Updated last month
• molmod / yaff
  Yaff is yet another force-field code
  ☆37Updated 2 years ago
• jmsolano / denstoolkit
  DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…
  ☆18Updated 2 weeks ago
• simongravelle / GOMC-inputs
  Input script for Monte Carlo (GCMC) simulations
  ☆19Updated 11 months ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆33Updated this week
• virtualzx-nad / pypackmol
  Python wrapper for packmol molecule packing program
  ☆12Updated 9 years ago