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PyL3dMD: Python LAMMPS 3D molecular descriptors package
Molecular descriptors characterize the biological, physical, and chemical properties of molecules and have long been used for understanding molecular interactions and facilitating materials design. Some of the most robust descriptors are derived from geometrical representations of molecules, called...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10385924/ https://www.ncbi.nlm.nih.gov/pubmed/37507792 http://dx.doi.org/10.1186/s13321-023-00737-5 |