v0.4.2

🩹 Fixes

• Remap Bond Indices in Topology Conversion for Non-Contiguous Atoms - by @TKanX in #24

Full Changelog: v0.4.1...v0.4.2

v0.4.1

🩹 Fixes

• Bump bio-forge to 0.4.1 to Fix N-Terminal PRO Hydrogen Geometry - by @TKanX in #21
• Bump dreid-kernel to 0.4.2 to Fix Buckingham Reflection-Point Algorithm - by @TKanX in #22

Full Changelog: v0.4.0...v0.4.1

v0.4.0

🚀 Features

• Support Context-Aware Histidine Salt Bridge Protonation - by @TKanX in #18

🛠️ Improvements

• Deprecate LAMMPS Writer and Streamline I/O Module - by @TKanX in #14
• Standardize Potentials to dreid-kernel Format - by @TKanX in #16

Full Changelog: v0.3.0...v0.4.0

v0.3.0

🚀 Features

• Implement Hybrid Electrostatics with Environmental Field Polarization - by @TKanX in #12

Full Changelog: v0.2.0...v0.3.0

v0.2.0

🚀 Features

• Implement DREID-Forge Command-Line Interface - by @TKanX in #10

Full Changelog: v0.1.0...v0.2.0

v0.1.0

🚀 Features

• Implement Core Data Models and CI Pipeline - by @TKanX in #2
• Implement Modular I/O Subsystem and Bio-Forge Integration - by @TKanX in #4
• Implement Core Force Field Parameterization Engine - by @TKanX in #6
• Finalize Public API Surface and Comprehensive Documentation - by @TKanX in #8

New Contributors

• @TKanX made their first contribution in #2

Full Changelog: https://github.com/caltechmsc/dreid-forge/commits/v0.1.0