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Commits on Aug 15, 2023

• docs: fix docs config

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• docs: migrate to readthedocs config v2

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• docs: update html.zip

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• docs: add installation information on MacOS and Windows

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Commits on May 19, 2023

• docs: update installation instruction

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• feat: simplify installation process

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Commits on Feb 27, 2023

• update docs/html.zip

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• fix result display on direct_ifp

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• complete doc for direct_ifp

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• add direct_ifp to config documentation

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• add input and output example for direct_ifp

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• fix ligand_list bug after adding multiple_ligand_list option

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• fix log message for direct_ifp

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Commits on Feb 26, 2023

• remove unnecessary print

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Commits on Feb 25, 2023

• add direct_ifp feature

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Commits on Feb 20, 2023

• accomodate alternative TRP protonation

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• type hinting on few functions

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Commits on Feb 15, 2023

• add type hints and docstring to parse_mol.py

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Commits on Apr 13, 2022

• refactor: rename docking_method to charge_assignment in assign_atoms func

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Commits on Apr 12, 2022

• refactor: rename process input

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Commits on Sep 14, 2021

• complete the parse_mol testings

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• add skeleton parse_mol module test

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• move fixture to conftest and add test_collect_ligand skeleton

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• reformat src with black

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• refactor main

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• move is_missing_docking_output to observer pattern

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• move master to main

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Commits on Sep 13, 2021

• reduce python matrix to 3.8 and 3.9

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• upgrade codecov & checkout actions, move to micromamba (#8)

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• update setup.sh to reflect src dir change

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• refactor Residue test

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• fix versioneer config

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• Add simple tests for get_direct_bitstring and Residue

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• remove yapf

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• update setup.cfg to reflect update src dir

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