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Commits on Aug 7, 2025

• Merge pull request #35 from calvinp0/vdw_reaction

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• fix: improve error handling in adjlist_from_smiles function

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• feat: configure SQLAlchemy database URI via environment variable

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• Merge remote-tracking branch 'origin/codex/relocate-alembic-configuration-and-adjust-paths' into vdw_reaction

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• chore: move Alembic config to project root

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• Refactor code for improved readability and consistency

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• Update publisher name in literature test case

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• Density Functional Theory in Quantum Chemistry

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• Refactor CI workflow: improve database service configuration and enhance readiness check

  calvinp0

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• Format code for better readability in find_molecule_env_python function

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• Refactor CI workflow: streamline database service configuration and remove redundant repository checkouts

  calvinp0

  committed
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• Add Dockerfile with base image, dependencies, and environment setup

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• Update tckdb/backend/app/models/VDW.py

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• Refactor database schema and enhance error handling in converter

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  calvinp0

  committed
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• VDW and Reaction Update

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Commits on Nov 25, 2024

• Merge pull request #33 from TCKDB/gh_deploy

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Commits on Nov 24, 2024

• Remove unnecessary branches

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Commits on Nov 23, 2024

• Updated the GH doc deployment

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• Changed environment doc set up to conda and removed unnecessary packages

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  committed
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• Merge pull request #34 from TCKDB/docker_test_server

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Commits on Nov 22, 2024

• Fixed Encorr Schema Test

  calvinp0

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• Changed EnCorr validations and logic

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  committed
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• Updated __init__.py file for models

  calvinp0

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• Changed Python Package from OS to Path for ease of reading

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  committed
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• Added a default FAST_API_PORT

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• Changed python package from OS to Path for ease of reading

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  committed
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• Moved molecule_env_scripts.py to utils folder

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  committed
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• Fixed function call in batch endpoint

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  committed
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• Trunk updates

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• Added Docker Postgresql in CI and Endpoint test

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  committed
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• Added end of file newline

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Commits on Nov 19, 2024

• Merge pull request #32 from TCKDB/lint-setup-finish

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Commits on Nov 11, 2024

• fix tests

  OfirSimhi1612

  committed
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• more formating

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• fix tests

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