Release History

This page documents the release history of DESCENT.

Development Version

Current development version. Not yet released.

New Features

  • Initial implementation of differentiable force field parameter optimization

  • Support for energy, thermodynamic, and dimer targets

  • PyTorch-based optimization with automatic differentiation

  • Integration with OpenFF Toolkit for force field manipulation

Bug Fixes

  • None yet

Known Issues

Warning

This is experimental software under active development. The API may change without notice, and results should be carefully validated.

Version 0.1.0 (TBD)

Initial release (pending).

Planned Features

  • [ ] Complete API documentation

  • [ ] Comprehensive test coverage

  • [ ] Example notebooks for common use cases

  • [ ] Performance benchmarks

  • [ ] Comparison with ForceBalance

Contributing

To report bugs or request features, please open an issue on GitHub.