ADicksonLab / OpenRXNLinks
A free, open-source tool for modeling chemical reaction networks in Python
☆13Updated last year
Alternatives and similar repositories for OpenRXN
Users that are interested in OpenRXN are comparing it to the libraries listed below
Sorting:
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- ☆14Updated 6 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 deep learning Bayesian framework for attribute driven inverse materials design☆14Updated 5 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- Tools for auto-generating the battery-materials database.☆47Updated 3 years ago
- ☆14Updated 3 years ago
- ☆44Updated 5 months ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆75Updated last month
- A data-driven tool to predict the reaction order of homogeneous gas-phase reactions. Includes machine learning experiments on the NIST Ch…☆25Updated 5 years ago
- A framework for processing adsorption data and isotherm fitting☆77Updated 7 months ago
- Image Analysis of Particles for particle spacing and and size distributions☆10Updated 7 years ago
- A General Framework Combining Generative Adversarial Networks and Mixture Density Networks for Inverse Modeling in Microstructural Materi…☆10Updated 2 years ago
- The database of chemical parameters used with Reaction Mechanism Generator☆116Updated last week
- A dissipative particle dynamics (DPD) project.☆11Updated 2 years ago
- Statistical models to predict new materials☆14Updated 2 years ago
- python simulation interface for molecular modeling☆98Updated 3 years ago
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆41Updated 6 months ago
- An interactive data exploration tool for json structured ionic liquid data from ILThermo (NIST)☆11Updated last year
- Spring 2017 Chemical and Reaction Engineering☆12Updated 8 years ago
- This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Pyth…☆71Updated 5 months ago
- Predict the band gap energy for inorganic materials☆19Updated last year
- Python Cyclic Voltammetry Simulator based on MECSim☆25Updated 4 years ago
- BatteryDataExtractor: battery-aware text-mining software embedded with BERT models.☆20Updated 2 years ago
- Deep reinforcement learning for design of distillation column trains (chemical engineering process synthesis)☆38Updated 3 years ago
- A Python library for building atomic neural networks☆117Updated 5 months ago
- A repository with examples on essential knowledge of chemical engineering.☆54Updated 9 months ago
- This is a practical course designed for chemical engineers that want to learn the basics of AI. The course is very practical and will cov…☆53Updated 4 months ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆97Updated 2 years ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆38Updated 3 years ago