Search results

feat: add alchemlyb analysis to main

Status: Open.

#42 In meyresearch/metalloenzyme_rbfe;

· jasmin-guven opened on Jan 13, 2025

add documentation with examples

Status: Open.

#41 In meyresearch/metalloenzyme_rbfe;

· jasmin-guven opened on Jan 13, 2025

build: make pip or conda installable

Status: Open.

#40 In meyresearch/metalloenzyme_rbfe;

· jasmin-guven opened on Jan 13, 2025

feat: add ZAFF modelling option

Status: Open.

#39 In meyresearch/metalloenzyme_rbfe;

· jasmin-guven opened on Jan 13, 2025

feat: add option to add angle restraints to restraint model (make default)

Status: Open.

#38 In meyresearch/metalloenzyme_rbfe;

· jasmin-guven opened on Jan 13, 2025

refactor: replace prepare.py with meze command

Status: Open.

#37 In meyresearch/metalloenzyme_rbfe;

· jasmin-guven opened on Jan 13, 2025

feat: input and output to prepare.py should be replaced with JSON

Status: Open.

#36 In meyresearch/metalloenzyme_rbfe;

· jasmin-guven opened on Jan 13, 2025

Refactoring code

Status: Open.

#34 In meyresearch/metalloenzyme_rbfe;

· jasmin-guven opened on Jan 13, 2025