Chemical Data Science and Engineering - University of Toronto
☆29Sep 21, 2026Updated this week
Alternatives and similar repositories for CHE1147
Users that are interested in CHE1147 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A knowledge graph unifying computational and experimental data for MOFs☆51Nov 14, 2025Updated 10 months ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- Code repo of Automated MUltiscale Simulation Environment (AMUSE) for multiscale modeling of heterogenous catalytic reactions☆27Nov 12, 2024Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Chemistry toolkit for simulating the aqueous speciation of metal-oxo clusters☆12Jul 6, 2026Updated 2 months ago
- ☆25Mar 8, 2023Updated 3 years ago
- A framework for few-shot evaluation of language models.☆17Oct 14, 2025Updated 11 months ago
- ☆19Jun 29, 2017Updated 9 years ago
- Heat capacity predictor for porous materials☆15Jun 13, 2024Updated 2 years ago
- CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction☆41Feb 27, 2026Updated 7 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…☆94Apr 30, 2026Updated 4 months ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated 2 years ago
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆46Apr 28, 2026Updated 4 months ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 6 years ago
- Spring 2024 - Data Science and Machine Learning in Chemical Engineering☆12Feb 14, 2024Updated 2 years ago
- Create new MOFs by combining generative AI and simulation on HPC☆30May 30, 2026Updated 3 months ago
- Computational Chemistry☆20Dec 9, 2019Updated 6 years ago
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆30May 8, 2025Updated last year
- Modification of RASPA2 code for GC-TMMC simulations☆14Apr 18, 2024Updated 2 years ago
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆20Sep 17, 2026Updated last week
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆20Apr 26, 2026Updated 5 months ago
- Basic sanity checks for MOFs.☆34Jul 6, 2026Updated 2 months ago
- Text-based modeling of materials.☆38Aug 14, 2026Updated last month
- ☆67Oct 9, 2025Updated 11 months ago
- Machine Learning using marginalized graph kernel for chemical molecules.☆13Mar 15, 2024Updated 2 years ago
- A program to automatically generate volcano plots for catalysis.☆15Updated this week
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆47Aug 27, 2026Updated last month
- GPU Monte Carlo Simulation Code with a taste of RASPA☆100Aug 17, 2026Updated last month
- Base image providing dependencies for ASKCOS Docker images☆12Jun 14, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Pyth…☆97May 1, 2026Updated 4 months ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- Notebooks to demonstrate some uses of Python in Chemical Engineering☆19Sep 2, 2024Updated 2 years ago
- CBE 30338 Data Analytics, Optimization, and Control☆16Apr 25, 2026Updated 5 months ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Jul 6, 2026Updated 2 months ago
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated 2 years ago