1.0.0

[bniladridas]

mol-platform 1.0.0 builds on the earlier release v0.1.0
https://github.com/bniladridas/mol-platform/tree/0.1.0
and includes bug fixes along with changes related to type safety, performance, distribution, and API authentication. Random mutation logic has been changed to use Python’s built-in random module. The command-line interface is distributed as a pipx-installable binary. API requests require an API key and are supported across backend services, CLI usage, and frontend integrations.

The mol-platform API provides REST endpoints for health checks and molecule generation from SMILES inputs with mutation parameters. Molecular mutations and property calculations use RDKit. Redis is used for caching, and PostgreSQL is used for data persistence. Some operations are executed asynchronously, with background tasks handled where configured.

Request / Response Flow

Health check

curl -H "Authorization: Bearer your-api-key" \
  http://localhost:8000/health

Generate molecule

curl -X POST \
  -H "Authorization: Bearer your-api-key" \
  -H "Content-Type: application/json" \
  -d '{"base_smiles":"CCO","num_mutations":3}' \
  http://localhost:8000/generate_molecule

Mutation Types

• substituent: adds functional groups
• bond_order: modifies bond types
• atom_swap: exchanges atoms

Response Format

{
  "original_smiles": "CCO",
  "generated_smiles": "CC(C)O",
  "molecular_image": "base64_png",
  "properties": {
    "Molecular Weight": 46.07,
    "LogP": 0.16
  }
}

Documentation and project history are available at
https://bniladridas.github.io/mol-platform