🚀 Features

• Implement Incremental Energy Grid for High-Performance Optimization - by @TKanX in #40
• Implement Layered Configuration for Zero-Config Execution - by @TKanX in #42

📦 Dependencies

• Bump tracing-subscriber from 0.3.19 to 0.3.20 - by @dependabot[bot] in #43

Full Changelog: v0.4.0-alpha.1...v0.5.0-beta.1

🚀 Features

• Implement Configurable, Role-Based Energy Weighting System - by @TKanX in #38

Full Changelog: v0.3.0-alpha.2...v0.4.0-alpha.1

🩹 Fixes

• Prevent Flat-Bottom Potential from Softening Hardcore Clashes - by @TKanX in #35
• Prevent Buckingham Potential Collapse at Short Distances - by @TKanX in #36

Full Changelog: v0.3.0-alpha.1...v0.3.0-alpha.2

🚀 Features

• Integrate Internal Energy into Scoring Model - by @TKanX in #32

Full Changelog: v0.2.0-alpha.3...v0.3.0-alpha.1

🩹 Fixes

• Correctly Parameterize System-Extracted Rotamers - by @TKanX in #30

Full Changelog: v0.2.0-alpha.2...v0.2.0-alpha.3

🩹 Fixes

• Correct Hydrogen Bond Energy Calculation and Parameter Handling - by @TKanX in #28

Full Changelog: v0.2.0-alpha.1...v0.2.0-alpha.2

🚀 Features

• Implement Absolute Energy Model and Streamline Parameterization - by @TKanX in #26

📦 Dependencies

• Bump slab from 0.4.10 to 0.4.11 - by @dependabot[bot] in #25

New Contributors

• @dependabot[bot] made their first contribution in #25

Full Changelog: v0.1.0-alpha.1...v0.2.0-alpha.1

🚀 Features

• Implement Core Molecular Data Models - by @TKanX in #4
• Implement Modular I/O Framework with BGF Support and Refactor Core Data Models - by @TKanX in #6
• Implement Geometry and Identifier Utilities - by @TKanX in #10
• Implement Forcefield for Energy Calculation and Parameterization - by @TKanX in #12
• Implement Rotamer Library for Conformation Management - by @TKanX in #14
• Implement Core engine Module for Algorithm Execution and State Management - by @TKanX in #16
• Implement Standard Sidechain Placement Workflow - by @TKanX in #21
• Implement place Subcommand and Core CLI Framework - by @TKanX in #23

🛠 Improvements

• Refactor Core Models with SlotMap for Stability and Mutability - by @TKanX in #8

New Contributors

• @TKanX made their first contribution in #4

Full Changelog: https://github.com/caltechmsc/screampp/commits/v0.1.0-alpha.1