🐈 Task: Upgrade descriptor models to newest version

[GemmaTuron]

Summary

Hi @DhanshreeA

For both the Abaumannii project and the refactoring of ZairaChem we want to use several descriptor models from Ersilia. We need those to be packaged with FastAPI and be sure they are working. Below the list:

• ersilia-compound-embedding (eos2gw4)
• cc-signaturizer (eos4u6p)
• unimol-representation (eos39co)
• grover-embedding (eos7w6n)
• image-mol-embeddings (eos4avb)
• kgpgt-embedding (eos8aa5)
• datamol-basic-descriptors (eos4djh)
• rdkit-descriptors (eos8a4x)
• mordred (eos78ao)
• morgan-counts (eos5axz)
• erg-fingerprints (eos5guo)
• whales-descriptor (eos3ae6)

Please can you confirm which models have already been successfully rebuilt? For example I think we were facing issues with eos78ao.
How would you go about refactoring the rest of them?

Objective(s)

Build the specified models with FastAPI and ensure they work using the latest workflow update

Documentation

No response

[GemmaTuron]

I have checked all the models that are marked and they work! Only missing then eos78ao and eos8aa5.

eos5guo still gives this error ate fetch time but it works:

8:47:40 | DEBUG    | Resolving pack method
18:47:40 | DEBUG    | Resolved pack method: fastapi
b8cb61d5cd292abc2fb647c5a3565019960b99c152adc63621e15bb21438eefd
Successfully copied 3.07kB to /home/gturon/eos/dest/eos5guo/information.json
a35fbf78-63a3-49e7-88e2-8f410db04a0f
18:47:40 | DEBUG    | Copying api_schema_file file from model container
968f2902be5db144bdf1f22f671c4ce43603216e21eda006b3478b931d9bc29e
Successfully copied 13.8kB to /home/gturon/eos/dest/eos5guo/api_schema.json
dae3c57d-6414-44ea-a68b-441ba874cb7d
18:47:41 | DEBUG    | Copying status file from model container
59ed0b6157c02dcdb8d0ccfe63a9c23d453e1d64e019785bee9ff551150933a2
Successfully copied 2.05kB to /home/gturon/eos/dest/eos5guo/status.json
71ceb5d6-acbf-4873-aa09-a9e9ba792b5f
27ddfcb30df3a63843f349c3f7cbdbdbc4fc7fa1fdec4a2f7d9b66550a78dcec
invalid output path: directory "/home/gturon/eos/dest/eos5guo/model/framework/examples" does not exist
c65249d4-8638-4a6b-9414-d8c722282e89
b848c2cbc57fe27d335a9b92dfcf3aff373ebdc282122f99a7b80c89edbe732e
invalid output path: directory "/home/gturon/eos/dest/eos5guo/model/framework/examples" does not exist
04891990-45fe-4ff7-b185-bd977a0b327a
968f1b7ad826369668e09ec974699e427b80759b787ef59d7396bd0dfb8a370e
invalid output path: directory "/home/gturon/eos/dest/eos5guo/model/framework" does not exist
fa3f1bc1-53a9-4927-91f0-48e8550d1925
ac3d9fc32facf9184b76e0e3e55403153a573f0a72d7521cdcb6c690ede287ca
invalid output path: directory "/home/gturon/eos/dest/eos5guo/model/framework" does not exist
5bb7a44f-8730-498d-ae43-a6ac20fcdd79
3713d94af125edbe0759b84a4e475237ea9e18c3181ed641e94d984ee9441ca5
Error response from daemon: Could not find the file /root/example.csv in container 7c302956-f149-47db-b3d3-60ba10d54692
7c302956-f149-47db-b3d3-60ba10d54692
18:47:43 | DEBUG    | Running standard CSV example
18:47:43 | DEBUG    | /home/gturon/eos/dest/eos5guo/example_standard_input.csv
18:47:43 | DEBUG    | /home/gturon/eos/dest/eos5guo/example_standard_output.csv
18:47:44 | DEBUG    | Usage: ersilia [OPTIONS] COMMAND [ARGS]...

  🦠 Welcome to Ersilia! 💊

Options:
  --version      Show the version and exit.
  -v, --verbose  Show logging on terminal when running commands.
  -s, --silent   Do not echo any progress message.
  --help         Show this message and exit.

Commands:
  auth       Log in to ersilia to enter contributor mode.
  catalog    List a catalog of models
  close      Close model
  delete     Delete model from local computer
  example    Generate input examples for the model of interest
  fetch      Fetch model from Ersilia Model Hub
  info       Get model information
  run        Run a served model
  serve      Serve model
  test       Test a model
  uninstall  Uninstall ersilia

18:47:44 | DEBUG    | No need to use Conda!