Search results

Create inputs for all failed edges and re-run

Status: Open.

Task

#323 In OpenFreeEnergy/IndustryBenchmarks2024;

· jthorton opened on Aug 26, 2025

Rename NMA to NME

Status: Open.

#322 In OpenFreeEnergy/IndustryBenchmarks2024;

· IAlibay opened on Aug 20, 2025

prepared SDF doesn't contain r_exp_dg

Status: Open.

#320 In OpenFreeEnergy/IndustryBenchmarks2024;

· xiki-tempula opened on Aug 13, 2025

irak4 PDBs contain PTMs (TPO and SEP)

Status: Open.

#319 In OpenFreeEnergy/IndustryBenchmarks2024;

· IAlibay opened on Jul 23, 2025

Some system caps do not adhere to convention

Status: Open.

#318 In OpenFreeEnergy/IndustryBenchmarks2024;

· IAlibay opened on Jul 23, 2025

Provide AMBER prmtop/inpcrd files for protein topology

Status: Open.

#314 In OpenFreeEnergy/IndustryBenchmarks2024;

· xiki-tempula opened on Jun 24, 2025

Investigate large ligand RMSD eg5 set

Status: Open.

#284 In OpenFreeEnergy/IndustryBenchmarks2024;

· hannahbaumann opened on Mar 13, 2025

Data-Analysis: Exploring chemical space

analysis

Status: Open.

#250 In OpenFreeEnergy/IndustryBenchmarks2024;

· IAlibay opened on Jan 29, 2025

Data-Analysis: Public failed edges

analysis

Status: Open.

#247 In OpenFreeEnergy/IndustryBenchmarks2024;

· jthorton opened on Jan 28, 2025