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Published August 10, 2022 | Version 0.0.43
Software Open

Bacting

Authors/Creators

Description

Release with various updates (jQUDT 1.5.0, BridgeDb 3.0.17) and a new manager for nanomaterials.

Cheminformatics managers

  • nm.listMaterialTypes()
  • nm.newMaterial()
  • nm.newMaterial(String), taking a type as input
  • nm.newMaterial(String, String), taking a type and a label as input
  • nm.generateInChI(), see this paper

Notes

If you use this software, please cite it as below.

Files

egonw/bacting-bacting-0.0.43.zip

Files (396.4 kB)

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Additional details

Related works

Is supplement to
https://github.com/egonw/bacting/tree/bacting-0.0.43 (URL)