OpenImplement line search for shell minimizationenhancementgood first issueAlexandriaChemistry/ACT #1,390 opened Jul 22, 2026 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenMake outlier information more usefulenhancementgood first issueAlexandriaChemistry/ACT #1,383 opened Jul 17, 2026 · C++ · 17 starsWhy recommendedNo assignee yet · Has a beginner-friendly labelNo assignee yetHas a beginner-friendly label1 comment0 reactions0 assignees
OpenCode cleaning and documentationdocumentationenhancementgood first issuehelp wantedstyleAlexandriaChemistry/ACT #1,290 opened Apr 5, 2026 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenMake new RESP testsenhancementhelp wantedAlexandriaChemistry/ACT #1,096 opened Jan 3, 2026 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenSimple Python API for reading and writing force field xml files.enhancementhelp wantedAlexandriaChemistry/ACT #966 opened Oct 5, 2025 · C++ · 17 starsWhy recommendedNo assignee yet · Has a beginner-friendly labelNo assignee yetHas a beginner-friendly label3 comments0 reactions0 assignees
OpenOptimize train_ff to only compute what is being trained onenhancementhelp wantedAlexandriaChemistry/ACT #902 opened Aug 13, 2025 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
Open1s Slater in ACT_OpenMM interfaceenhancementhelp wantedAlexandriaChemistry/ACT #753 opened Mar 7, 2025 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenImplement constraints in ACTenhancementhelp wantedAlexandriaChemistry/ACT #643 opened Dec 5, 2024 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenAdd features to simulateenhancementhelp wantedAlexandriaChemistry/ACT #126 opened Feb 15, 2023 · C++ · 17 starsWhy recommendedNo assignee yet · Has a beginner-friendly labelNo assignee yetHas a beginner-friendly label4 comments0 reactions0 assignees
OpenPython binder for ACTenhancementhelp wantedAlexandriaChemistry/ACT #59 opened Dec 10, 2021 · C++ · 17 starsWhy recommendedNo assignee yet · Has a beginner-friendly labelNo assignee yetHas a beginner-friendly label5 comments1 reaction0 assignees
OpenImplement line search for shell minimizationenhancementgood first issueAlexandriaChemistry/ACT #1,390 opened Jul 22, 2026 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenMake outlier information more usefulenhancementgood first issueAlexandriaChemistry/ACT #1,383 opened Jul 17, 2026 · C++ · 17 starsWhy recommendedNo assignee yet · Has a beginner-friendly labelNo assignee yetHas a beginner-friendly label1 comment0 reactions0 assignees
OpenCode cleaning and documentationdocumentationenhancementgood first issuehelp wantedstyleAlexandriaChemistry/ACT #1,290 opened Apr 5, 2026 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenMake new RESP testsenhancementhelp wantedAlexandriaChemistry/ACT #1,096 opened Jan 3, 2026 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenSimple Python API for reading and writing force field xml files.enhancementhelp wantedAlexandriaChemistry/ACT #966 opened Oct 5, 2025 · C++ · 17 starsWhy recommendedNo assignee yet · Has a beginner-friendly labelNo assignee yetHas a beginner-friendly label3 comments0 reactions0 assignees
OpenOptimize train_ff to only compute what is being trained onenhancementhelp wantedAlexandriaChemistry/ACT #902 opened Aug 13, 2025 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
Open1s Slater in ACT_OpenMM interfaceenhancementhelp wantedAlexandriaChemistry/ACT #753 opened Mar 7, 2025 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenImplement constraints in ACTenhancementhelp wantedAlexandriaChemistry/ACT #643 opened Dec 5, 2024 · C++ · 17 starsWhy recommendedNo assignee yet · No comments yetNo assignee yetNo comments yetHas a beginner-friendly label0 comments0 reactions0 assignees
OpenAdd features to simulateenhancementhelp wantedAlexandriaChemistry/ACT #126 opened Feb 15, 2023 · C++ · 17 starsWhy recommendedNo assignee yet · Has a beginner-friendly labelNo assignee yetHas a beginner-friendly label4 comments0 reactions0 assignees
OpenPython binder for ACTenhancementhelp wantedAlexandriaChemistry/ACT #59 opened Dec 10, 2021 · C++ · 17 starsWhy recommendedNo assignee yet · Has a beginner-friendly labelNo assignee yetHas a beginner-friendly label5 comments1 reaction0 assignees