Index

A

action_tasks() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) add_scope() (alchemiscale.storage.statestore.Neo4jStore method) alchemiscale.base.api module alchemiscale.base.client module alchemiscale.cli module alchemiscale.compute.client module alchemiscale.compute.service module alchemiscale.interface.client module alchemiscale.models module alchemiscale.security.auth module alchemiscale.security.models module alchemiscale.settings module

alchemiscale.storage.models module alchemiscale.storage.objectstore module alchemiscale.storage.statestore module alchemiscale.strategies.base module alchemiscale.strategist.service module AlchemiscaleBaseClient (class in alchemiscale.base.client) AlchemiscaleBaseClientError AlchemiscaleClient (class in alchemiscale.interface.client) AlchemiscaleClientError AlchemiscaleComputeClient (class in alchemiscale.compute.client) AlchemiscaleComputeClientError AlchemiscaleConnectionError AlchemiscaleStateStore (class in alchemiscale.storage.statestore) APISettings (class in alchemiscale.settings) AsynchronousComputeService (class in alchemiscale.compute.service) AuthenticationError

B

BaseAPISettings (class in alchemiscale.settings)

beat() (alchemiscale.compute.service.SynchronousComputeService method)

C

cancel_tasks() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) cast_scopes_to_str() (alchemiscale.security.models.ScopedIdentity method) check() (alchemiscale.storage.objectstore.S3ObjectStore method) (alchemiscale.storage.statestore.Neo4jStore method) check_exists() (alchemiscale.interface.client.AlchemiscaleClient method) claim (alchemiscale.storage.models.Task attribute) claim_taskhub_tasks() (alchemiscale.compute.client.AlchemiscaleComputeClient method) (alchemiscale.storage.statestore.Neo4jStore method) claim_tasks() (alchemiscale.compute.service.SynchronousComputeService method) ComputeAPISettings (class in alchemiscale.settings)

ComputeIdentity (class in alchemiscale.security.models) ComputeServiceID (class in alchemiscale.storage.models) ComputeServiceRegistration (class in alchemiscale.storage.models) create_credentialed_entity() (alchemiscale.storage.statestore.Neo4jStore method) create_network() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) create_task() (alchemiscale.storage.statestore.Neo4jStore method) create_taskhub() (alchemiscale.storage.statestore.Neo4jStore method) create_tasks() (alchemiscale.interface.client.AlchemiscaleClient method) CredentialedComputeIdentity (class in alchemiscale.security.models) CredentialedEntity (class in alchemiscale.security.models) CredentialedUserIdentity (class in alchemiscale.security.models)

D

datetime_created (alchemiscale.storage.models.Task attribute) delete_network() (alchemiscale.storage.statestore.Neo4jStore method)

delete_task() (alchemiscale.storage.statestore.Neo4jStore method) delete_taskhub() (alchemiscale.storage.statestore.Neo4jStore method) deregister_computeservice() (alchemiscale.storage.statestore.Neo4jStore method)

E

envvar_dictify() (in module alchemiscale.cli)

execute() (alchemiscale.compute.service.SynchronousComputeService method) expire_registrations() (alchemiscale.storage.statestore.Neo4jStore method)

F

FrozenSettings (class in alchemiscale.settings)

G

get_chemicalsystem() (alchemiscale.interface.client.AlchemiscaleClient method) get_chemicalsystem_networks() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_chemicalsystem_transformations() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_credentialed_entity() (alchemiscale.storage.statestore.Neo4jStore method) get_n4js() (in module alchemiscale.storage.statestore) get_network() (alchemiscale.interface.client.AlchemiscaleClient method) get_network_chemicalsystems() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_network_failures() (alchemiscale.interface.client.AlchemiscaleClient method) get_network_results() (alchemiscale.interface.client.AlchemiscaleClient method) get_network_status() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_network_tasks() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_network_transformations() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_s3os() (in module alchemiscale.storage.objectstore) get_scope_status() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_scoped_key() (alchemiscale.interface.client.AlchemiscaleClient method) get_settings_from_options() (in module alchemiscale.cli) get_task_failures() (alchemiscale.interface.client.AlchemiscaleClient method)

get_task_networks() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_task_results() (alchemiscale.interface.client.AlchemiscaleClient method) get_task_status() (alchemiscale.storage.statestore.Neo4jStore method) get_task_transformation() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_task_weights() (alchemiscale.storage.statestore.Neo4jStore method) get_taskhub() (alchemiscale.storage.statestore.Neo4jStore method) get_taskhub_tasks() (alchemiscale.storage.statestore.Neo4jStore method) get_taskhub_unclaimed_tasks() (alchemiscale.storage.statestore.Neo4jStore method) get_tasks_status() (alchemiscale.interface.client.AlchemiscaleClient method) get_transformation() (alchemiscale.interface.client.AlchemiscaleClient method) get_transformation_chemicalsystems() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_transformation_failures() (alchemiscale.interface.client.AlchemiscaleClient method) get_transformation_networks() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_transformation_results() (alchemiscale.interface.client.AlchemiscaleClient method) get_transformation_status() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) get_transformation_tasks() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) GufeJSONResponse (class in alchemiscale.base.api) GzipRequest (class in alchemiscale.base.api) GzipRoute (class in alchemiscale.base.api)

H

heartbeat() (alchemiscale.compute.service.SynchronousComputeService method)

heartbeat_computeservice() (alchemiscale.storage.statestore.Neo4jStore method)

I

initialize() (alchemiscale.storage.objectstore.S3ObjectStore method) (alchemiscale.storage.statestore.Neo4jStore method) InterruptableSleep (class in alchemiscale.compute.service)

InvalidScopeError is_superset() (alchemiscale.models.Scope method) iter_contents() (alchemiscale.storage.objectstore.S3ObjectStore method)

J

JWTSettings (class in alchemiscale.settings)

L

list_credentialed_entities() (alchemiscale.storage.statestore.Neo4jStore method)

list_scopes() (alchemiscale.storage.statestore.Neo4jStore method)

M

minimize_scope_space() (in module alchemiscale.base.api) module alchemiscale.base.api alchemiscale.base.client alchemiscale.cli alchemiscale.compute.client alchemiscale.compute.service alchemiscale.interface.client alchemiscale.models alchemiscale.security.auth alchemiscale.security.models alchemiscale.settings alchemiscale.storage.models alchemiscale.storage.objectstore alchemiscale.storage.statestore alchemiscale.strategies.base alchemiscale.strategist.service

N

Neo4jStore (class in alchemiscale.storage.statestore) Neo4JStoreError

Neo4jStoreSettings (class in alchemiscale.settings) network (alchemiscale.storage.models.TaskHub attribute)

O

ObjectStoreRef (class in alchemiscale.storage.models)

P

priority (alchemiscale.storage.models.Task attribute) ProtocolDAGResultRef (class in alchemiscale.storage.models)

pull_protocoldagresult() (alchemiscale.storage.objectstore.S3ObjectStore method) push_protocoldagresult() (alchemiscale.storage.objectstore.S3ObjectStore method)

Q

query_chemicalsystems() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) query_networks() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) query_taskhubs() (alchemiscale.compute.client.AlchemiscaleComputeClient method) (alchemiscale.storage.statestore.Neo4jStore method)

query_tasks() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) query_transformations() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) QueryGUFEHandler (class in alchemiscale.base.api)

R

register_computeservice() (alchemiscale.storage.statestore.Neo4jStore method) remove_credentialed_identity() (alchemiscale.storage.statestore.Neo4jStore method)

remove_scope() (alchemiscale.storage.statestore.Neo4jStore method) reset() (alchemiscale.storage.objectstore.S3ObjectStore method) (alchemiscale.storage.statestore.Neo4jStore method)

S

S3ObjectStore (class in alchemiscale.storage.objectstore) S3ObjectStoreError S3ObjectStoreSettings (class in alchemiscale.settings) Scope (class in alchemiscale.models) ScopedIdentity (class in alchemiscale.security.models) ScopedKey (class in alchemiscale.models) set_strategy() (alchemiscale.interface.client.AlchemiscaleClient method) (alchemiscale.storage.statestore.Neo4jStore method) set_task_complete() (alchemiscale.storage.statestore.Neo4jStore method) set_task_deleted() (alchemiscale.storage.statestore.Neo4jStore method) set_task_error() (alchemiscale.storage.statestore.Neo4jStore method) set_task_invalid() (alchemiscale.storage.statestore.Neo4jStore method) set_task_result() (alchemiscale.storage.statestore.Neo4jStore method)

set_task_running() (alchemiscale.storage.statestore.Neo4jStore method) set_task_status() (alchemiscale.storage.statestore.Neo4jStore method) set_task_waiting() (alchemiscale.storage.statestore.Neo4jStore method) set_task_weights() (alchemiscale.storage.statestore.Neo4jStore method) set_taskhub_weight() (alchemiscale.storage.statestore.Neo4jStore method) set_tasks() (alchemiscale.storage.statestore.Neo4jStore method) set_tasks_status() (alchemiscale.interface.client.AlchemiscaleClient method) SleepInterrupted specific() (alchemiscale.models.Scope method) start() (alchemiscale.compute.service.AsynchronousComputeService method) (alchemiscale.compute.service.SynchronousComputeService method) status (alchemiscale.storage.models.Task attribute) Strategy (class in alchemiscale.strategies.base) SynchronousComputeService (class in alchemiscale.compute.service)

T

Task (class in alchemiscale.storage.models) task_to_protocoldag() (alchemiscale.compute.service.SynchronousComputeService method) TaskArchive (class in alchemiscale.storage.models) TaskHub (class in alchemiscale.storage.models)

TaskProvenance (class in alchemiscale.storage.models) TaskStatusEnum (class in alchemiscale.storage.models) Token (class in alchemiscale.security.models) TokenData (class in alchemiscale.security.models) transaction() (alchemiscale.storage.statestore.Neo4jStore method)

U

UserIdentity (class in alchemiscale.security.models)

V

validate_scopes() (in module alchemiscale.base.api)

validate_scopes_query() (in module alchemiscale.base.api)

W

weight (alchemiscale.storage.models.TaskHub attribute)