v1.14

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•Last updated Oct 23, 2026

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improve Warehouse validation
OpenFreeEnergy/openfe#2162 · opened on Aug 20, 2026 · v1.14
add additional views and filters for openfe status
OpenFreeEnergy/openfe#2160 · opened on Aug 20, 2026 · v1.14
move network plotting to konnektor
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#1522 opened Sep 18, 2025 · Updated Sep 8, 2026Draft
3
Make restraint objects GufeTokenizable
OpenFreeEnergy/openfe#1388 · opened on Jun 26, 2025 · v1.14
1
Settings objects should not allow invalid options
OpenFreeEnergy/openfe#1389 · opened on Jun 26, 2025 · v1.14
Running pytest -v --pyargs openfe openfecli leaves open too many files
OpenFreeEnergy/openfe#1548 · opened on Oct 3, 2025 · v1.14
5
re-evaluate stdout
OpenFreeEnergy/openfe#988 · opened on Oct 28, 2024 · v1.14
RFE Protocol uses stateA / stateB from the mappings instead of the provided ChemicalSystems
OpenFreeEnergy/openfe#1371 · opened on Jun 13, 2025 · v1.14
2
Add docs about force field choices and enumerate all the possible small molecule force fields.
OpenFreeEnergy/openfe#1840 · opened on Feb 12, 2026 · v1.14
2
Non-deterministic charge validation
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#2132 opened Aug 11, 2026 · Updated Oct 22, 2026
35
Support SmallMoleculeComponents as host in ABFE Protocol
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#2020 opened Jun 17, 2026 · Updated Sep 16, 2026
3
set_and_check_new_positions warning isn't very helpful
OpenFreeEnergy/openfe#2159 · opened on Aug 18, 2026 · v1.14
Add validation for partial charge assignment in Protocols
OpenFreeEnergy/openfe#2115 · opened on Jul 31, 2026 · v1.14
add n_repeats option to task-based setup
OpenFreeEnergy/openfe#2190 · opened on Sep 15, 2026 · v1.14
2
Protocol validation errors
OpenFreeEnergy/openfe#2208 · opened on Sep 23, 2026 · v1.14
gufe type checking
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#2126 opened Aug 6, 2026 · Updated Sep 25, 2026Draft
2
Test on openmm-8.5
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#2183 opened Sep 7, 2026 · Updated Sep 25, 2026
6
warehouse: developer docs
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#1988 opened Jun 5, 2026 · Updated Oct 1, 2026Draft
16
exorcist developer-facing docs
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#2076 opened Jul 14, 2026 · Updated Oct 1, 2026Draft
17
Multi-leg HybridTop Protocols
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#2093 opened Jul 24, 2026 · Updated Sep 25, 2026Draft
4
task_db and warehouse construction should use alchemical_network name by default.
OpenFreeEnergy/openfe#2161 · opened on Aug 20, 2026 · v1.14
revisit task_db and warehouse parameter defaults
OpenFreeEnergy/openfe#2226 · opened on Oct 1, 2026 · v1.14
user testing task-based execution
OpenFreeEnergy/openfe#2192 · opened on Sep 16, 2026 · v1.14
5
task-based execution: add helper function to update task status
OpenFreeEnergy/openfe#2206 · opened on Sep 22, 2026 · v1.14
2
[DNM] conda cron: try download test data up-front
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#2302 opened Oct 23, 2026 · Updated Oct 23, 2026Draft
1

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v1.14

improve Warehouse validation

add additional views and filters for `openfe status`

move network plotting to konnektor

Make restraint objects `GufeTokenizable`

Settings objects should not allow invalid options

Running `pytest -v --pyargs openfe openfecli` leaves open too many files

re-evaluate stdout

RFE Protocol uses stateA / stateB from the mappings instead of the provided ChemicalSystems

Add docs about force field choices and enumerate all the possible small molecule force fields.

Non-deterministic charge validation

Support SmallMoleculeComponents as host in ABFE Protocol

`set_and_check_new_positions` warning isn't very helpful

Add validation for partial charge assignment in Protocols

add n_repeats option to task-based setup

Protocol validation errors

gufe type checking

Test on openmm-8.5

warehouse: developer docs

exorcist developer-facing docs

Multi-leg HybridTop Protocols

task_db and warehouse construction should use alchemical_network name by default.

revisit task_db and warehouse parameter defaults

user testing task-based execution

task-based execution: add helper function to update task status

[DNM] conda cron: try download test data up-front

Issues