List view
- Due by May 15, 2023•60/60 issues closed
- No due date•12/12 issues closed
Sweep of issues/PRs that should have been release in 0.9.3
Due by February 11, 2022•5/5 issues closed- Due by September 3, 2021•13/13 issues closed
* Various bugfixes * Better CI matrix for testing. CI Testing on GPU. Testing dependencies release candidates. * Automated benchmarking CLI tools.
Due by February 4, 2022•32/32 issues closed- No due date•1/1 issues closed
New features: * Handling caps from popular protein preparation software. * CLI options to override config file setup. * Real-time analysis output in simulations. * Enhanced support for PDB and SDF input files for protein, ligands and cofactors.
Due by June 10, 2022•48/48 issues closedFixing major bugs
Due by August 2, 2021•24/24 issues closed- Due by May 14, 2021•1/1 issues closed
Basic serial Hamiltonian exchange support for relative small molecule free energy calculations sufficient to benchmark SMIRNOFF force fields on the JACS set
No due date•3/3 issues closed