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NVIDIA-BioNeMo / nvMolKit Public

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Add MMFF FIRE wrapper integration#223

Merged

scal444 merged 2 commits into

NVIDIA-BioNeMo:mainNVIDIA-BioNeMo/nvMolKit:mainfrom

scal444:fire_pr_4scal444/nvMolKit:fire_pr_4Copy head branch name to clipboard

Jul 8, 2026

Conversation Commits2 (2)Checks Files changed

Merged

Add MMFF FIRE wrapper integration#223
scal444 merged 2 commits into
NVIDIA-BioNeMo:mainfrom
scal444:fire_pr_4

Fix convergence behavior

791a95a

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Conda Forge Local Build on: pull_request 4

py3.10 rdkit2025.3.3 cuda12.6

py3.12 rdkit2025.9.2 cuda12.9

py3.13 rdkit2026.3.1 cuda13.0

Lint on: pull_request 5

clang-format

copyright-check

cmake-format-lint

include-check

ruff-format

C++ Build & Test on: pull_request 2

Build & Test

C++ Build & Test on: pull_request 1

Build & Test

Conda Forge Local Build on: pull_request 3

py3.10 rdkit2025.3.3 cuda12.6

py3.12 rdkit2025.9.2 cuda12.9

py3.13 rdkit2026.3.1 cuda13.0

Lint on: pull_request 5

clang-format

copyright-check

cmake-format-lint

include-check

ruff-format

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2 errors

Canceling since a higher priority waiting request for conda-forge-build-Conda Forge Local Build-223 exists

Canceling since a higher priority waiting request for conda-forge-build-Conda Forge Local Build-223 exists

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