| CalebBell/thermo |
517 |
|
3 |
12 |
over 2 years ago |
59 |
September 17, 2023 |
8 |
mit |
Python |
| Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL) |
| makeitworkpress/wp-components |
39 |
|
0 |
0 |
over 2 years ago |
0 |
|
3 |
gpl-3.0 |
PHP |
| A library of the most common WordPress components, useful for theme and plugin development. |
| GLambard/Molecules_Dataset_Collection |
26 |
|
0 |
0 |
almost 8 years ago |
0 |
|
0 |
mit |
|
| Collection of data sets of molecules for a validation of properties inference |
| lukasturcani/stk-vis |
23 |
|
0 |
0 |
about 4 years ago |
0 |
|
23 |
mit |
PureScript |
| A cross-platform application for visualization of molecular databases. |
| devalab/CIGIN |
14 |
|
0 |
0 |
over 5 years ago |
0 |
|
2 |
mit |
Jupyter Notebook |
| AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules |
| beangoben/dataDrivenChemistry |
12 |
|
0 |
0 |
almost 11 years ago |
0 |
|
0 |
gpl-2.0 |
CSS |
| AC 209 Data Science Final project - A data driven, Quantum Mechanical understanding of Chemistry AKA Trying to make sense of 134k quantum calculations |
| MarcusOlivecrona/MolExplorer |
9 |
|
0 |
0 |
over 8 years ago |
0 |
|
0 |
mit |
Python |
| A lightweight visualization tool for molecules and their properties |
| BeckResearchLab/PyMolSAR |
8 |
|
0 |
0 |
about 4 years ago |
0 |
|
4 |
mit |
Jupyter Notebook |
| A Python toolkit to compute molecular features and predict activities and properties of small molecules |
| openforcefield/open-forcefield-tools |
8 |
|
0 |
0 |
over 7 years ago |
0 |
|
11 |
other |
Python |
| Tools for open forcefield development |
| PMitura/smiles-neural-network |
7 |
|
0 |
0 |
over 9 years ago |
0 |
|
0 |
bsd-3-clause |
Python |
| A neural network for predicting properties of molecules based on their SMILES representation |
