icsg3d

imported

therapeutics/icsg3d

3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)

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icsg3d project image — GitHub preview card for by256/icsg3d. Served by its origin, not stored here, and not covered by this registry’s licence.

record

Category: Therapeutics
Subcategory: unknown
License: MIT(osi)
Status: dormant
Maturity: deployed
Organization: unknown
Country: unknown
Homepage: pubs.acs.org/doi/10.1021/acs.jcim.0c00464
Repository: github.com/by256/icsg3d
Documentation: unknown
Tags: cheminformatics · computational-chemistry · computational-physics · crystallography · deep-learning · representation-learning
Regulatory: unknown

built by · 3

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similar by tags

Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.

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IANN (InterAtomic Neural Network Framework) is an equivariant interatomic neural network potential framework package
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Library for processing of chemistry related files (aiming at spectroscopy and structural files)
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A 3D conformational based molecular descriptor set for use in QSPR and Machine Learning.
hbatcrystallography
HBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures https://hbat-web.abhishek-tiwari.com

sources

api.github.com/repos/by256/icsg3d
retrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2023-02-15, 41 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.

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/v1/entries/32.json→ .entries["icsg3d"]

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