Graph Based Molecular Synthesis
Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Crem | 152 |  | 1 | 10 months ago | 12 | February 04, 2022 | 5 | bsd-3-clause | Jupyter Notebook | |
| CReM: chemically reasonable mutations framework | ||||||||||
| Scaffoldgraph | 148 | 2 years ago | 8 | June 17, 2021 | mit | Python | ||||
| ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees. | ||||||||||
| Auto_martini | 50 | 8 months ago | 25 | gpl-2.0 | Python | |||||
| Automatic MARTINI parametrization of small organic molecules | ||||||||||
| Fragment Based Dgm | 46 | 2 years ago | 2 | Python | ||||||
| Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020) | ||||||||||
| Hotspots | 27 | 2 years ago | 4 | August 12, 2019 | 20 | mit | Python | |||
| A knowledge-based method for determining small molecule binding "hotspots". | ||||||||||
| Fragmentation_algorithm_paper | 20 | 2 years ago | mit | Python | ||||||
| Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups) | ||||||||||
| Fragit Main | 20 | 6 months ago | 12 | other | Python | |||||
| FragIt main repository | ||||||||||
| Strainviz | 16 | a year ago | 3 | mit | Tcl | |||||
| Strain Visualization for Inherently Strained Organic Molecules | ||||||||||
| Singlecellmultiomics | 15 | a year ago | 24 | September 19, 2022 | 2 | mit | Python | |||
| Tools which deal with multiple single cell measurements | ||||||||||
| Molecules | 12 | 8 months ago | bsd-3-clause | |||||||
| Common molecule fragments for visualization in Avogadro | ||||||||||
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