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fullerenetool
saltball/fullerenetool
Python
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2
Last push
15mo ago
Recent commits
Latest commits.
feat(operator): add DPA2 embedding calculator
15709a1
HanYanbo
15mo ago
fix(BondTopoBuilder): add repulsion parameter to the energy calculation
c955aab
HanYanbo
15mo ago
feat(fullerene, calculator): add atomic energy calculation and visualization update
51387ae
HanYanbo
15mo ago
feat(isomer_sort): update pick_first_n parameter to accept float values and enhance sorting logic
238561b
HanYanbo
15mo ago
feat(cage): modify planarity_graph_pos to conditionally return projection matrix
1353e4d
HanYanbo
15mo ago
feat(nonisomorphic_addon): implement integer list compression for identity strings
74dce93
HanYanbo
15mo ago
chore(master): release 0.2.0
4e7836d
github-actions[bot]
16mo ago
feat(derivative_group): add DerivativeGroupType enum and coordinate generation for substituents
5b24bd9
HanYanbo
16mo ago
Top contributors
Builders behind this project.
saltball
33 commits
github-actions[bot]
2 commits
