Alternatives and similar repositories for PapersBot

Users that are interested in PapersBot are comparing it to the libraries listed below

• fxcoudert / citable-data
  Data, in citable form, produced by the Coudert research group
  ☆42Updated last week
• coudertlab / CrystalNets.jl
  A julia package for the manipulation of crystal net representations and topology
  ☆44Updated 3 weeks ago
• usnistgov / feasst
  The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…
  ☆40Updated last week
• JFurness1 / EnergyLeveller
  A python script to plot an energy level diagram from an input file.
  ☆28Updated 4 years ago
• qmcurrents / gimic
  Gauge-including magnetically induced currents.
  ☆28Updated last year
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆32Updated 8 months ago
• anooplab / pyar
  Python program for aggregation and reaction
  ☆21Updated 8 months ago
• fxcoudert / tools
  Tools and scripts I wrote and regularly use
  ☆75Updated 3 years ago
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆39Updated last year
• WMD-group / Crystal_structures
  A collection of crystal structures from first-principles simulations
  ☆33Updated 5 years ago
• WMD-group / MLFF
  A collection of files related to machine learning force fields
  ☆21Updated last year
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆69Updated 2 weeks ago
• schnarc / SchNarc
  ☆25Updated 2 years ago
• metatensor / metatrain
  Training and evaluating machine learning models for atomistic systems.
  ☆33Updated this week
• teixeirafilipe / vibAnalysis
  Tools for performing vibrational analysis on molecular systems.
  ☆17Updated last year
• lanl / PYSEQM
  an interface to semi-empirical quantum chemistry methods implemented with pytorch
  ☆53Updated this week
• jmsolano / denstoolkit
  DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…
  ☆15Updated last week
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆32Updated 2 years ago
• popelier-group / ichor
  Computational Chemistry Data Management Library for Machine Learning Force Field Development
  ☆20Updated last week
• GEMDAT-repos / GEMDAT
  Python toolkit for molecular dynamics analysis
  ☆29Updated 2 months ago
• grimme-lab / std2
  std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…
  ☆42Updated 4 months ago
• lukasturcani / moldoc
  Make better chemistry documentation!
  ☆14Updated 7 months ago
• funkymunkycool / Cube-Toolz
  Python tool to manipulate Gaussian cube files
  ☆44Updated last year
• fekad / jupyter-jsmol
  This is JSmol viewer widget for Jupyter Notebooks and JupyterLab
  ☆33Updated 2 years ago
• lcmd-epfl / Q-stack
  Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)
  ☆18Updated 2 weeks ago
• usnistgov / chipsff
  Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093
  ☆43Updated last month
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆33Updated 4 months ago
• mosdef-hub / gmso
  Flexible storage of chemical topology for molecular simulation
  ☆62Updated this week
• WMD-group / Phonons
  A collection of structures, force constants and phonon data obtained from first-principles calculations
  ☆40Updated 4 years ago
• materialsproject / foundation
  ☆17Updated 3 months ago