Alternatives and similar repositories for mispr:

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

• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated 10 months ago
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆47Updated 7 months ago
• BlauGroup / HiPRGen
  ☆25Updated 5 months ago
• WilmerLab / mofun
  ☆22Updated 2 years ago
• molmd / mdproptools
  A Python package for LAMMPS analysis tools
  ☆11Updated 2 weeks ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆26Updated last year
• SimonEnsemble / porous-material-AI-gym
  open data sets for machine learning pertaining to porous materials
  ☆27Updated last year
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆41Updated this week
• lcmd-epfl / cell2mol
  ☆26Updated 3 months ago
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆17Updated 5 months ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆50Updated 2 years ago
• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆18Updated last week
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago
• tobacco-mofs / tobacco_1.0
  ☆16Updated 7 years ago
• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆20Updated 3 months ago
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated last year
• Liu-group / AutoSolvate
  Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
  ☆50Updated last month
• lamalab-org / mofchecker
  Basic sanity checks for MOFs.
  ☆26Updated last year
• SimonEnsemble / mpn_charges
  predicting charges on MOF atoms via a message passing MOFs
  ☆24Updated 4 years ago
• snurr-group / pacmof
  PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …
  ☆16Updated last year
• jla-gardner / load-atoms
  ⚛ download and manipulate atomistic datasets
  ☆44Updated 3 months ago
• kjappelbaum / moffragmentor
  Split a MOF into its building blocks.
  ☆22Updated 2 years ago
• sudarshanv01 / coeffnet
  Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.
  ☆10Updated last year
• zadorlab / PESViewer
  Depiction of Potential Energy Surfaces
  ☆12Updated 6 months ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆46Updated last week
• richardjgowers / zeoplusplus
  Mirror of http://zeoplusplus.org/
  ☆9Updated 6 years ago
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated last year
• spgarcica / rNets
  rNets: A standalone package to visualize reaction networks
  ☆16Updated 5 months ago
• chimie-paristech-CTM / TS-tools
  This is the repository corresponding to the TS-tools project.
  ☆22Updated last week
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆11Updated 2 years ago