thebowenfeng / commbank-api-client

Related projects ⓘ

Alternatives and complementary repositories for commbank-api-client

• lmmentel / chemtools
  Python tools for quantum chemical calculations
  ☆17Updated 10 months ago
• salinisenthil / ConnGO
  Workflow for CONNectivity preserving Geometry Optimization
  ☆11Updated 3 years ago
• gmxavier / FAT0413156
  Chemical Processes Instrumentation
  ☆13Updated last year
• glevv / obscure_stats
  A small collection of lesser-known statistical measures
  ☆37Updated this week
• Anselmoo / spectrafit
  📊📈🔬 SpectraFit is a command-line and Jupyter-notebook tool for quick data-fitting based on the regular expression of distribution func…
  ☆26Updated this week
• jkitchin / s24-06642
  Spring 2024 - Data Science and Machine Learning in Chemical Engineering
  ☆10Updated 9 months ago
• digital-chemistry-laboratory / coulson
  Python code for Hückel and Pariser-Parr-Pople molecular orbital theory
  ☆14Updated last year
• jjgoings / chem_interp
  use interpretable machine learning to explain chemical reactions
  ☆12Updated 3 years ago
• ekwan / cctk
  Python-based library for working with computational chemistry files
  ☆13Updated 3 months ago
• aspuru-guzik-group / gemini
  scalable multi-fidelity machine learning
  ☆9Updated 3 years ago
• ntampellini / TSCoDe
  TSCoDe is a systematical conformational embedder for small molecules. It helps computational chemists build transition states and binding…
  ☆12Updated 7 months ago
• Anselmoo / TanabeSugano
  A python-solver for Tanabe-Sugano and energy-correlation diagrams
  ☆15Updated this week
• mfherbst / julia-for-materials
  Material of the seminar "Julia for Materials Modelling"
  ☆30Updated last year
• materials-data-facility / llm-hackathon
  ☆9Updated 7 months ago
• jkitchin / s17-06364
  Spring 2017 Chemical and Reaction Engineering
  ☆11Updated 7 years ago
• jashughes / adventofcode2021
  ☆10Updated 2 years ago
• edgarsmdn / GH-GNN
  Gibbs-Helmholtz Graph Neural Network
  ☆17Updated last year
• pyiron / pyiron_base
  Core components of the pyiron integrated development environment (IDE) for computational materials science
  ☆20Updated this week
• dftd4 / tad-dftd4
  PyTorch Autodiff DFT-D4 Implementation.
  ☆14Updated 3 weeks ago
• ekwan / PyQuiver
  kinetic isotope effect prediction with Gaussian
  ☆15Updated last year
• saadtony / ChemPy
  Introductory Python notes from the Chemical Engineering Department at the University of Utah
  ☆9Updated 4 years ago
• JuliaMolSim / NeighbourLists.jl
  neighbour list for particle simulations based on matscipy
  ☆11Updated 2 months ago
• MineralsCloud / EquationsOfStateOfSolids.jl
  A Julia package for fitting the equation of state of solids, and more
  ☆13Updated last week
• Chemellia / ChemistryFeaturization.jl
  Interface package for featurizing atomic structures
  ☆42Updated last year
• jkitchin / s20-06681
  Data science and machine learning in chemical engineering
  ☆18Updated 4 years ago
• libAtoms / ExtXYZ.jl
  Extended XYZ read/write support for Julia
  ☆13Updated this week
• longemen3000 / ChemicalIdentifiers.jl
  chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search
  ☆18Updated last year
• pyiron / pysqa
  Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
  ☆23Updated this week
• rileyhickman / atlas
  Bayesian optimization for chemistry
  ☆14Updated 8 months ago