Alternatives and similar repositories for AutoPoly

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

• noid-group / BOCS
  Bottom-up Open-source Coarse-graining Software
  ☆20Updated last year
• AbramsGroup / HTPolyNet
  Development of High-Throughput Polymer Network Atomistic Simulation
  ☆25Updated 9 months ago
• m-bone / AutoMapper
  A package of tools for automating the file preparation for the LAMMPS fix bond/react.
  ☆22Updated 2 years ago
• OMaraLab / polyconstruct
  A Python library for constructing polymer topologies and coordinates
  ☆16Updated last month
• nanogchen / polyGraft
  A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures
  ☆12Updated last year
• kevinshen56714 / emc-pypi
  Python interface for Enhanced Monte Carlo (EMC)
  ☆20Updated 3 weeks ago
• mssm-labmmol / pypolybuilder
  ☆28Updated 3 years ago
• GOMC-WSU / py-MCMD
  This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles
  ☆43Updated last month
• cmelab / flowerMD
  Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
  ☆21Updated this week
• atomistic-ml / ani-1xnr
  Machine learning interatomic potential for condensed-phase reactive chemistry
  ☆21Updated last year
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆28Updated last year
• z-gong / openmm-velocityVerlet
  OpenMM plugin for simulating electrochemical systems
  ☆21Updated 11 months ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆41Updated last year
• HMakkiMD / PolySMart
  Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package
  ☆24Updated 6 months ago
• selimsami / qforce
  ☆61Updated 2 months ago
• chimie-paristech-CTM / TS-tools
  This is the repository corresponding to the TS-tools project.
  ☆23Updated last week
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆53Updated this week
• tommason14 / modified_polymatic
  ☆14Updated 3 years ago
• mkmat / Z1plus-code
  Supplementary scripts for Z1+ users
  ☆13Updated last week
• shin1koda / dmf
  A Python implementation of the direct MaxFlux method for transition state search
  ☆31Updated last month
• tummfm / chemtrain
  Training Neural Network potentials through customizable routines in JAX.
  ☆46Updated last month
• THGLab / NewtonNet
  A Newtonian message passing network for deep learning of interatomic potentials and forces
  ☆44Updated 3 months ago
• RokasEl / simgen
  Zero Shot Molecular Generation via Similarity Kernels
  ☆23Updated 2 weeks ago
• henriasv / molecular-builder
  Builder for molecular systems
  ☆17Updated 5 months ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆53Updated 3 years ago
• shivupa / QMMM_study_group
  QM/MM Study Group
  ☆15Updated 6 years ago
• atomistic-machine-learning / field_schnet
  ☆20Updated 3 years ago
• sudarshanv01 / coeffnet
  Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.
  ☆11Updated last year
• egtai / MD_LJP
  An elementary MD simulation program written in python
  ☆24Updated 3 years ago
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆54Updated last week