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Pull requests: forlilab/Meeko

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Pull requests list

added function stitch from PR188, with options residues_to_add and bonds_to_use
#306 opened Jan 9, 2025 by rwxayheee Loading…
Ranking passed templates by H_excess if tied with H_missing
#301 opened Dec 27, 2024 by rwxayheee Loading…
2
Docs anchored tutorial
#290 opened Dec 17, 2024 by diogomart • Draft
--cache_templates for mk_prepare_receptor.py
#287 opened Dec 16, 2024 by rwxayheee Loading…
1
1
Polymer from PQR
#285 opened Dec 15, 2024 by rwxayheee Loading…
4
Complicated metal complexes as ligand
#273 opened Dec 9, 2024 by rwxayheee Loading…
1
4
Improve basic support for elements (single-atom residues, metal, noble gas) that are unsupported by ad4
#259 opened Dec 1, 2024 by rwxayheee • Draft
1
1
create single rdkit mol from entire chorizo
#188 opened Oct 9, 2024 by diogomart • Draft
@rwxayheee
Merge multiprocessing
#78 opened Nov 21, 2023 by althea-hansel Loading…
1
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