Alternatives and similar repositories for CloudPoint-MachineLearning:

Users that are interested in CloudPoint-MachineLearning are comparing it to the libraries listed below

• aryandeshwal / BO_of_COFs
  Python code for the paper Bayesian Optimization of Nanoporous Materials.
  ☆21Updated last year
• KanHatakeyama / Integrating-multiple-materials-science-projects
  ☆14Updated 2 years ago
• materials-data-facility / awesome-bayesian-optimization
  ☆37Updated 10 months ago
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆38Updated 4 months ago
• timvdm / Avogadro-Packmol-Extension
  An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
  ☆11Updated 14 years ago
• supramolecular-toolkit / stk
  Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.
  ☆21Updated 2 years ago
• molmd / mispr
  A software for automating materials science computations
  ☆30Updated 3 weeks ago
• schwallergroup / chaos
  ☆18Updated 6 months ago
• OpenChemistry / avogenerators
  Python input file generators for Avogadro 2
  ☆12Updated last month
• curieshicy / JRgui
  Python GUI program for a quick estimation of physicochemical properties of molecules.
  ☆41Updated 6 years ago
• usnistgov / pyPRISM
  A framework for conducting polymer reference interaction site model (PRISM) calculations
  ☆42Updated 3 years ago
• CambridgeMolecularEngineering / chemdataextractor
  Pipeline for automated extraction of chemical property information from scientific documents
  ☆16Updated 6 years ago
• tobacco-mofs / tobacco_1.0
  ☆16Updated 7 years ago
• lvpp / pysac
  Pairwise interaction segment activity coefficients, reference implementation in Python
  ☆15Updated 9 months ago
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆14Updated 9 months ago
• qzhu2017 / PyXtal_ml
  a Python3 library for ML modeling materials properties
  ☆11Updated 5 years ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆32Updated 4 years ago
• edgarsmdn / GH-GNN
  Gibbs-Helmholtz Graph Neural Network
  ☆17Updated last year
• TRI-AMDD / CAMD
  Agent-based sequential learning software for materials discovery
  ☆61Updated last year
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆32Updated 2 years ago
• coleygroup / polymer-chemprop-data
  Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"
  ☆19Updated 2 years ago
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆44Updated 5 months ago
• lantunes / skipatom
  Distributed representations of atoms, inspired by the Skip-gram model
  ☆25Updated last year
• lamalab-org / pyepal
  Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
  ☆40Updated last week
• MaterialEyes / Plot2Spec
  an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)
  ☆31Updated 2 years ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆37Updated 6 months ago
• cstein / neb
  Nudged-Elastic Band implementation in python
  ☆24Updated 8 years ago
• HouGroup / mdgo
  A codebase for classical molecular dynamics (MD) simulation setup and results analysis.
  ☆24Updated last year
• stewu5 / HighTCond_Polymer_iqspr
  R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
  ☆13Updated 6 years ago
• TheoChem-VU / PyFrag
  ☆18Updated last month