Chemalot specifications

Unique identifier:
OMICS_19313
Interface:
Command line interface
Operating system:
Unix/Linux
License:
Apache License version 2.0
Stability:
Stable
Maintained:
Yes
Software type:
Toolkit/Suite
Restrictions to use:
None
Programming languages:
Java
Computer skills:
Advanced
Requirements:
quacpac, szybki, gaussian, bmin, moebatch

Subtools

  • sdf2Tab
  • sdfAggregator
  • sdfBinning
  • sdfGrep
  • sdfSdfMerger
  • sdfSliceByRe
  • sdfSorter
  • sdfSplicer
  • sdfTabMerger
  • sdfTagTool
  • tab2sdf
  • tabTabMerger
  • sdfMDLSSSMatcher
  • sdf2DAlign
  • sdfEnumerator
  • sdfMolSeparator
  • sdfNormalizer
  • sdfSmartsGrep
  • sdfStructureTagger
  • sdfTorsionScanner
  • sdfTransformer
  • sdfRGroupExtractor
  • AEREAExporter
  • dataLoader
  • sdfExport
  • sdfSdfExporter
  • sdfRRandomForestCreator
  • sdfRModelPredictor
  • sdfRSVMCreator
  • RModelManager
  • sdfALogp
  • sdfCalcProps
  • sdfCNS_MPO
  • sdfEStateCalculator
  • sdfRingSystemExtractor
  • sdfTopologicalIndexer
  • sdfFractionIonized
  • sdfLE
  • sdfRGroupCalcProps
  • sdfCFP
  • sdfCluster
  • sdfFingerprinter
  • sdfCatsIndexer
  • sdfFPCluster
  • sdfFPNNFinder
  • sdfFPSphereExclusion
  • sdfMACCSKeys
  • sdfMCSSNNFinder
  • sdfMCSSSphereExclusion
  • sdfGroovy
  • sdfSubRMSD
  • sdfMultiplexer
  • sdfAlign
  • g2sdf
  • sdf2g
  • gOpty
  • qTorsionMultiplexer
  • QTorsionProfileGenerator
  • sdfMMMinimize
  • sdminimize
  • sdfConformerSampler
  • sdfMMConfAnalysis
  • sdfRMSDNNFinder
  • sdfRMSDSphereExclusion

versioning

tutorial arrow
×
Upload and version your source code
Get a DOI for each update to improve tool traceability. Archive your releases so the community can easily visualize progress on your work.
Facilitate your tool traceability
Sign up for free to upload your code and get a DOI

No versioning.

Chemalot distribution

download

Chemalot support

Maintainers

  • Alberto Gobbi <>
  • Man Ling Lee <>

forum

tutorial arrow
×
Communicate with other users
Participate in the forum to get support for using tools. Ask questions about technical specifications.
Take part in the discussion
Sign up for free to ask question and share your advices

No open topic.

Credits

tutorial arrow
×
Promote your skills
Define all the tasks you managed and assign your profile the appropriate badges. Become an active member.
Promote your work
Sign up for free to badge your contributorship

Publications

Institution(s)

Discovery Chemistry, Genentech Inc., South San Francisco, CA, USA; Denali Therapeutics, South San Francisco, CA, USA; KNIME.com AG, Zurich, Switzerland; gNova Scientifc Software, San Diego, CA, USA

User review

tutorial arrow
×
Vote up tools and offer feedback
Give value to tools and make your expertise visible
Give your feedback on this tool
Sign up for free to join and share with the community

0 user reviews

star_border star_border star_border star_border star_border
star star star star star

0 user reviews

star_border star_border star_border star_border star_border
star star star star star

No review has been posted.

Related Tools