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Published June 21, 2017 | Version v0.4.0
Software Open

mordred-descriptor/mordred v0.4.0

Authors/Creators

Description

new feature
  • save/load descriptors list to json. (#17, 13e1bf7a0cf6940505f0737fc4586db5f33d43f6)
  • add is_missing function (f3978007ec3fefbdb3d0419467dfcc3b13fd6156)
broken change
  • raise TypeError when Calculator/Descriptor is provided non-Mol values. (thanks @RunshengSong #16, #20, d584cb3a1944a1d75dbfad287535de7af5af59d7)

Files

mordred-descriptor/mordred-v0.4.0.zip

Files (202.3 kB)

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md5:08b337d519223b81d4d5568d3d8159dd
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Additional details

Related works

Is supplement to
https://github.com/mordred-descriptor/mordred/tree/v0.4.0 (URL)