Search results

Use the protocol result to get edge estimates

Status: Open.

#129 In OpenFreeEnergy/openfe-benchmarks;

· jthorton opened on Jun 24, 2026

Add system group and system name to network mappings

Status: Open.

#124 In OpenFreeEnergy/openfe-benchmarks;

· jthorton opened on Apr 23, 2026

In charge generation, add explicit_hydrogens flag

Status: Open.

#123 In OpenFreeEnergy/openfe-benchmarks;

· hannahbaumann opened on Apr 22, 2026

Remove additional data from SDF files

Status: Open.

#122 In OpenFreeEnergy/openfe-benchmarks;

· IAlibay opened on Apr 15, 2026

Run tyk2 on alchemiscale

Status: Open.

#114 In OpenFreeEnergy/openfe-benchmarks;

· jaclark5 opened on Mar 16, 2026

Test plan_asfe with alchemiscale

Status: Open.

#113 In OpenFreeEnergy/openfe-benchmarks;

· jaclark5 opened on Mar 16, 2026

Add a script for pontibus RBFEs

Status: Open.

#111 In OpenFreeEnergy/openfe-benchmarks;

· IAlibay opened on Mar 11, 2026

[proposal] Agree on release strategy

Status: Open.

#106 In OpenFreeEnergy/openfe-benchmarks;

· IAlibay opened on Feb 18, 2026

Create BenchmarkResult class or example script to access data

Status: Open.

#103 In OpenFreeEnergy/openfe-benchmarks;

· jaclark5 opened on Feb 11, 2026

Rerun alchemical archive with Sage 2.3 using our current benchmark sets

Status: Open.

#102 In OpenFreeEnergy/openfe-benchmarks;

· jaclark5 opened on Feb 11, 2026

Create custom opefe-benchmarks gather script run on a list of alchemical archives to produce submission file

Status: Open.

#101 In OpenFreeEnergy/openfe-benchmarks;

· jaclark5 opened on Feb 11, 2026

data: Add OPLS dataset

low-priority

Status: Open.

Task

#80 In OpenFreeEnergy/openfe-benchmarks;

· jthorton opened on Jan 26, 2026