medford-group / data_analytics_ChELinks
Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.
☆38Updated last year
Alternatives and similar repositories for data_analytics_ChE
Users that are interested in data_analytics_ChE are comparing it to the libraries listed below
Sorting:
- Hands-on material for a Machine Learning in Chemical Engineering course☆110Updated 2 years ago
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆24Updated 2 years ago
- A repository with examples on essential knowledge of chemical engineering.☆54Updated 9 months ago
- Spring 2024 - Data Science and Machine Learning in Chemical Engineering☆12Updated last year
- The materials for the Fall ML in Materials course at the UTK MSE☆87Updated last year
- Teaching Utility for Classical Atomistic Simulation.☆30Updated last year
- Computational Chemistry☆19Updated 5 years ago
- Course repository for 06-623☆13Updated 5 years ago
- Ideal Adsorbed Solution Theory☆58Updated 4 years ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆26Updated 6 years ago
- Data Science for Materials Science☆65Updated this week
- ☆44Updated 5 months ago
- Applied Numerical Computing Course☆29Updated 5 months ago
- Literate Programming Examples for Chemical Engineering Analysis☆14Updated 2 years ago
- Input script for Monte Carlo (GCMC) simulations☆19Updated last year
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆19Updated last year
- ☆21Updated 4 years ago
- Python wrapper for packmol molecule packing program☆12Updated 9 years ago
- NIST Interatomic Potential Repository property calculation tools☆12Updated last month
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆47Updated 2 months ago
- A program to automatically generate volcano plots for catalysis.☆15Updated 10 months ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Updated 2 years ago
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆21Updated last week
- Plots IR spectra from from ORCA output files☆22Updated last year
- Resources for teaching quantum chemistry courses in Bonn☆41Updated 2 months ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆36Updated this week
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Updated 10 months ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Updated 11 months ago