rdkit-rs/cheminee

Issues

• Need to update api response content types

  #110 opened 12 days ago by JJ-Pineda
  0

• We need more benchmark measurements

  #108 opened 12 days ago by JJ-Pineda
  0

• We could use more multithreading in our structure searches

  #106 opened 15 days ago by JJ-Pineda
  0

• Scaffold assignment is a bit inefficient

  #104 opened 15 days ago by JJ-Pineda
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• Add chirality option for structure searches

  #102 opened 16 days ago by JJ-Pineda
  0

• Identity search doesn't seem to work for large compounds

  #100 opened a month ago by JJ-Pineda
  0

• Fix input parameters when reading molblocks from SDF files

  #97 opened a month ago by JJ-Pineda
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• Make SDF indexing multithreaded

  #94 opened a month ago by JJ-Pineda
  0

• Use dimensionality reduction to bucket molecules for similarity

  #7 opened 2 years ago by xrl
  0

• Include tantivy-cli in docker image

  #93 opened a month ago by xrl
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• Attach prebuilt cheminee to releases

  #92 opened a month ago by xrl
  0

• Tautomer limits need to be respected (as do result limits)

  #88 opened 2 months ago by JJ-Pineda
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• Superstructure search

  #86 opened 2 months ago by JJ-Pineda
  0

• Need for smiles-to-molblock API endpoint

  #84 opened 2 months ago by JJ-Pineda
  0

• Delete index

  #75 opened 2 months ago by xrl
  0

• Deleting documents

  #74 opened 3 months ago by xrl
  0

• Need exact structure match endpoint

  #81 opened 3 months ago by JJ-Pineda
  0

• Scaffold-based indexing needed for quicker structure search

  #79 opened 3 months ago by JJ-Pineda
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• Manage aliases

  #73 opened 7 months ago by xrl
  0

• Ensure Tantivy can index/query numerical features

  #16 opened a year ago by JJ-Pineda
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• Merge segments

  #43 opened a year ago by xrl
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• Clean shutdown

  #42 opened a year ago by xrl
  0

• Need to find and implement 3D chemical descriptors in RDKit

  #31 opened a year ago by JJ-Pineda
  1

• Version information

  #24 opened 2 years ago by xrl
  0

• Tagged docker builds fail

  #20 opened 2 years ago by xrl
  0

• Test Suite in CI

  #1 opened 2 years ago by xrl
  2

• REST API

  #2 opened 2 years ago by xrl
  2

• Cheminee Docker images for all supported platforms/archs

  #4 opened 2 years ago by xrl
  2

• Map fingerprint bitvec into vec of u8 for storage in Tantivy

  #18 opened 2 years ago by JJ-Pineda
  1

• Cachepot for faster CI

  #6 opened 2 years ago by xrl
  1

• Build docker images for arm64/amd64 and publish under a single tag

  #17 opened 2 years ago by xrl
  0

• RDKit deb AMD64

  #10 opened 2 years ago by xrl
  1

• Use S3 as a Debian Repository

  #14 opened 2 years ago by xrl
  1

• RDKit deb ARM64

  #11 opened 2 years ago by xrl
  1

• Boost deb ARM64

  #13 opened 2 years ago by xrl
  1

• Boost deb AMD64

  #12 opened 2 years ago by xrl
  1

• test

  #15 opened 2 years ago by MegByrne10
  0

• Use main as base branch instead of master

  #9 opened 2 years ago by JJ-Pineda
  0

• Helm chart

  #5 opened 2 years ago by xrl
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• Use tokio-trace

  #3 opened 2 years ago by xrl
  0