OpenFreeEnergy/openfe-benchmarks

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Stars: 13
Forks: 2
Open beginner issues: 0
Indexed issues: 15
Avg merge: 2d 19h
Merged PRs (30d): 8

Dominant language: Python
License: MIT
Last GitHub push: Sep 14, 2026
Latest indexed: Sep 19, 2026
Contributing guide: No contributing guide
Code of conduct: No code of conduct
Beginner labels: No beginner labels indexed

Beginner friendly Everything

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15 open issues indexed

Add system group and system name to network mappings Open

Difficulty 4/5 3-5 days Newbie friendliness 48/100

OpenFreeEnergy/openfe-benchmarks#124 · Opened Apr 23, 2026
In charge generation, add `explicit_hydrogens` flag Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

OpenFreeEnergy/openfe-benchmarks#123 · Opened Apr 22, 2026
Remove additional data from SDF files Open

Difficulty 3/5 1-2 days Newbie friendliness 45/100

OpenFreeEnergy/openfe-benchmarks#122 · 1 comment · Opened Apr 15, 2026
[proposal] Agree on release strategy Open

Difficulty 5/5 Over a week Newbie friendliness 20/100

OpenFreeEnergy/openfe-benchmarks#106 · Opened Feb 18, 2026
data: Add OPLS dataset Open

low-priority

OpenFreeEnergy/openfe-benchmarks#80 · 1 assignee · Opened Jan 26, 2026
data: Add macrocycle dataset Open

missing-data

OpenFreeEnergy/openfe-benchmarks#79 · 1 assignee · Opened Jan 26, 2026
data: Add GPCRs dataset Open

missing-data

OpenFreeEnergy/openfe-benchmarks#78 · 1 assignee · Opened Jan 26, 2026
data: Add scaffold hoping dataset Open

low-priority

OpenFreeEnergy/openfe-benchmarks#77 · 1 assignee · Opened Jan 26, 2026
Refactor results directory Open

epic

Difficulty 4/5 3-5 days Newbie friendliness 20/100

OpenFreeEnergy/openfe-benchmarks#46 · Opened Jan 21, 2026
Refactor "data" directory Open

epic

Difficulty 5/5 Over a week Newbie friendliness 15/100

OpenFreeEnergy/openfe-benchmarks#44 · Opened Jan 21, 2026
Refactor OpenFE Benchmarks Open

epic

Difficulty 5/5 Over a week Newbie friendliness 25/100

OpenFreeEnergy/openfe-benchmarks#43 · Opened Jan 21, 2026
Charge correction: investigate ion concentration? Open

stale

Difficulty 5/5 Over a week Newbie friendliness 25/100

OpenFreeEnergy/openfe-benchmarks#36 · 1 comment · Opened Nov 17, 2023
Charge correction: effect of box size? Open

stale

Difficulty 4/5 3-5 days Newbie friendliness 25/100

OpenFreeEnergy/openfe-benchmarks#35 · 1 comment · Opened Nov 17, 2023
Consistency test for RFE charge correction Open

stale

OpenFreeEnergy/openfe-benchmarks#34 · 1 assignee · Opened Nov 17, 2023
Non-equilibrium cycling benchmarks Open

not-started stale

OpenFreeEnergy/openfe-benchmarks#21 · 1 assignee · Opened Aug 22, 2023

OpenFreeEnergy/openfe-benchmarks

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