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Lists (17)
atmosphere
Bayesian
carbon_capture
energy
Energy systems, conversion, storage, transport and datagraphs
LCIA
meshing
meshing tools for PDE solverML
optimization
python-database
python-package
python-visualization
solvers
symbolic regression
libraries and tools for symbolic regression, i.e. finding equations that fir datathermo
All the cool thermodynamic packages developed by very smart peoplewater
water flow on the landwebapp
Stars
A reactive notebook for Python — run reproducible experiments, execute as a script, deploy as an app, and version with git.
A new Python framework in development, aiming to provide a powerful yet simple approach for building reactive web applications. Numerous Apps empowers developers to create modern, scalable web apps…
Python disk-backed cache (Django-compatible). Faster than Redis and Memcached. Pure-Python.
Materials for SCIML2024 workshop
HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction
overview of datasets for ML in chemistry
A repository for physico-chemical data extracted from the NIST Chemistry WebBook
Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)
Simple creation of data classes from dictionaries.
Simplified and standard interface to a number of cheminformatics toolkits
Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
Scripts to explore and process global hydrography (stream lines and basin boundaries) for Model My Watershed
Markdown rendering + Latex extras (equations, tables, ...), with conversion features, for the scientific community
Graph-based molecule modeling toolkit for cheminformatics
The global chemical inventory database
A Pure Python, React-style Framework for Scaling Your Jupyter and Web Apps
A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PS…
chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search
tools to perform group contribution (GC) identification, given the SMILES of a compound