hmehryar

hmehryar/py-MCMD

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

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7 Open Issues Need Help Last updated: Jul 31, 2026

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Install the complete setup for Py-MCMD Project about 6 hours ago
good first issue
hmehryar/py-MCMD
2

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

Makefile
Installing framework into my device 6 days ago
good first issue
hmehryar/py-MCMD
2

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

Makefile
First Task - Making Branch - Cloning repo - Running Framework 6 days ago
good first issue
hmehryar/py-MCMD
2

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

Makefile
Making a branch - Assigning issue to myself 6 days ago
good first issue
hmehryar/py-MCMD
2

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

Makefile
Cloning Repository 6 days ago
good first issue
hmehryar/py-MCMD
2

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

Makefile
Port `write_namd_conf_file` into new architecture + add unit tests (lines 1167-1584) 9 months ago
documentation enhancement good first issue
hmehryar/py-MCMD
2

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

Makefile
Refactor `get_gomc_energy_data` (lines 2445–2541) into GOMC parser 10 months ago
documentation enhancement good first issue
hmehryar/py-MCMD
2

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

Makefile