Alternatives and similar repositories for reaction-network:

Users that are interested in reaction-network are comparing it to the libraries listed below

• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆50Updated last month
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆62Updated last month
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆88Updated 4 months ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆145Updated 7 months ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆58Updated 6 months ago
• ZimmermanGroup / pyGSM
  Thermal and photochemical reaction path optimization and discovery
  ☆59Updated 9 months ago
• tobacco-mofs / tobacco_3.0
  ☆51Updated 3 years ago
• zhaoqy1996 / YARP
  ☆41Updated 2 years ago
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆77Updated 2 months ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆47Updated 3 years ago
• MaginnGroup / PyLAT
  ☆106Updated 2 years ago
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆89Updated last year
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆48Updated 2 months ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆115Updated 2 years ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆55Updated 3 weeks ago
• hjkgrp / molSimplify
  molSimplify code
  ☆181Updated this week
• paduagroup / clandp
  Force field for ionic liquids
  ☆61Updated 6 months ago
• qcscine / chemoton
  ☆45Updated 5 months ago
• BingqingCheng / ML-in-chemistry-101
  The course materials for "Machine Learning in Chemistry 101"
  ☆74Updated 4 years ago
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Nerual Network Models for chemistry
  ☆112Updated this week
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆65Updated this week
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆45Updated last month
• Andrew-S-Rosen / QMOF
  The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
  ☆137Updated this week
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆72Updated last year
• txie-93 / gdynet
  Unsupervised learning of atomic scale dynamics from molecular dynamics.
  ☆80Updated 3 years ago
• ACEsuit / mace-mp
  MACE-MP models
  ☆72Updated last month
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆71Updated 3 weeks ago
• BingqingCheng / cace
  ☆60Updated this week
• ulissigroup / GASpy
  ☆66Updated 3 years ago
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆33Updated 7 months ago