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OpenFreeEnergy
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alchemiscale-fah
protocols and compute service for using alchemiscale with Folding@Home
MIT License
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Add stop mechanism when `FahAsynchronousComputeService` exhausts all RUNs in a PROJECT, or all CLONEs in a RUN
#15
dotsdl
opened
3 weeks ago
1
Add encryption support to `FahOpenMMSimulationUnit`
#14
dotsdl
opened
1 month ago
0
Default integrator settings for `FahNonEquilibriumCyclingProtocol` too short for FAH WUs of reasonable runtime
#13
dotsdl
opened
1 month ago
2
Performing live tests against `alchemiscale` 0.5.0-beta.1
#12
dotsdl
opened
1 month ago
3
Update test env to use `openmmforcefields` 0.14.1
#11
dotsdl
closed
1 month ago
0
Added Docker image build and deployment
#10
dotsdl
closed
2 months ago
0
Add tests for `FahOpenMMSimulationUnit` methods
#9
dotsdl
opened
2 months ago
0
Decrease execution time of tests by switching to formal charges on `SmallMoleculeComponent`s
#8
dotsdl
closed
2 months ago
1
Client for FAH resources, reference implementation for compute service
#7
dotsdl
closed
1 month ago
9
FAHComputeService for execuing FAH-based Protocols via a Folding@Home work server
#1
dotsdl
closed
1 month ago
23
Protocol : FAH Times Square Sampling
#6
dotsdl
opened
2 years ago
3
Protocol : FAH Independent Lambdas
#4
dotsdl
opened
2 years ago
1
Protocol : FAH Times Square Sampling
#5
dotsdl
closed
11 months ago
1
Protocol : FAH Nonequilibrium Switching
#2
dotsdl
opened
2 years ago
1
Protocol : FAH Nonequilibrium Cycling
#3
dotsdl
closed
1 month ago
3