Alternatives and similar repositories for ChemBlender_1_0

Users that are interested in ChemBlender_1_0 are comparing it to the libraries listed below

• lipelopesoliveira / ForceFields
  A repository to hold forcefields for molecular mechanics calculations with RASPA
  ☆16Updated 7 months ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆53Updated 3 years ago
• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆19Updated 2 months ago
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆31Updated 2 years ago
• maurergroup / MACE-H
  Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages
  ☆24Updated 3 weeks ago
• chkunkel / projection_viewer
  An interactive viewer
  ☆14Updated 5 years ago
• lsmo-epfl / zeopp-lsmo
  zeo++ fork of the LSMO
  ☆20Updated 2 years ago
• i-pi / tutorials-schools
  ☆19Updated 4 years ago
• WMD-group / MLFF
  A collection of files related to machine learning force fields
  ☆22Updated 2 years ago
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆29Updated 4 months ago
• stfc / aiida-mlip
  machine learning interatomic potentials aiida plugin
  ☆16Updated last week
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆29Updated 7 months ago
• 999938825 / easyvasp
  高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）
  ☆13Updated 4 years ago
• WRao96 / Materials-Studio-script
  perl script of Materials Studio
  ☆22Updated 2 years ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆37Updated 7 months ago
• Atomic-Samplers / quansino
  `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms
  ☆28Updated 3 weeks ago
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆41Updated 2 weeks ago
• smutao / LModeA-nano
  calculate chemical bond strength in solids, surfaces and molecules
  ☆23Updated last month
• kmu / cif2cell
  cif2cell compatible with Python 3+
  ☆12Updated 3 years ago
• mir-group / allegro-pol
  ☆27Updated 3 months ago
• caneparesearch / kMCpy
  ☆27Updated 3 weeks ago
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆31Updated last week
• BingqingCheng / MLP-highP-H
  ☆17Updated 4 years ago
• WMD-group / polytype
  A set of tools and structures for modelling perovskite polytypes
  ☆12Updated 2 years ago
• Linux-cpp-lisp / sitator
  Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
  ☆13Updated 4 years ago
• arohl / gdis
  A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
  ☆46Updated 4 months ago
• r2stanton / pyrovskite
  A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.
  ☆31Updated last year
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆22Updated 2 years ago
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆27Updated 3 years ago
• tommason14 / modified_polymatic
  ☆16Updated 3 years ago