| ambit2.balloon |
|
| ambit2.base.config |
|
| ambit2.base.data |
Base data structures; no chemistry.
|
| ambit2.base.data.study |
Detailed description of experimental data, linked to substances
|
| ambit2.base.data.substance |
Chemical substances, with complex composition (including nanomaterials)
|
| ambit2.base.exceptions |
|
| ambit2.base.external |
|
| ambit2.base.facet |
Facets
|
| ambit2.base.interfaces |
Format independent IO utilities
|
| ambit2.base.io |
Interfaces
|
| ambit2.base.io.format |
|
| ambit2.base.json |
JSON utilities
|
| ambit2.base.processors |
Processors (similar to a processing node in a workflow engine)
|
| ambit2.base.processors.batch |
|
| ambit2.base.processors.search |
|
| ambit2.base.relation |
Classes to describe relations between chemical structures
|
| ambit2.base.relation.composition |
Classes to describe chemical composition
|
| ambit2.base.ro |
Ro did not begin with attempting to rival or supplant any other language whatever, either natural or artificial, nor was it suggested by any of them.
|
| ambit2.chebi |
|
| ambit2.core.config |
User preferences and other configuration options
|
| ambit2.core.data |
|
| ambit2.core.data.distances |
|
| ambit2.core.data.model |
|
| ambit2.core.external |
Launching external applications by command shell
|
| ambit2.core.filter |
|
| ambit2.core.groups |
|
| ambit2.core.helper |
|
| ambit2.core.i |
|
| ambit2.core.io |
Input output support.
|
| ambit2.core.io.bcf |
|
| ambit2.core.io.dx |
|
| ambit2.core.io.fp |
|
| ambit2.core.io.json |
|
| ambit2.core.io.pdb |
|
| ambit2.core.io.sj |
|
| ambit2.core.io.study |
|
| ambit2.core.json |
|
| ambit2.core.processors |
|
| ambit2.core.processors.batch |
|
| ambit2.core.processors.quality |
|
| ambit2.core.processors.structure |
|
| ambit2.core.processors.structure.key |
|
| ambit2.core.smiles |
SMILES tools, additional to CDK smiles functionality
|
| ambit2.db |
|
| ambit2.db.cache |
|
| ambit2.db.chart |
|
| ambit2.db.chemrelation |
|
| ambit2.db.facets.bookmarks |
|
| ambit2.db.facets.bundle |
|
| ambit2.db.facets.compounds |
|
| ambit2.db.facets.datasets |
|
| ambit2.db.facets.propertyvalue |
|
| ambit2.db.facets.qlabel |
|
| ambit2.db.model |
|
| ambit2.db.processors |
|
| ambit2.db.processors.quality |
|
| ambit2.db.readers |
|
| ambit2.db.reporters |
|
| ambit2.db.reporters.xlsx |
|
| ambit2.db.results |
|
| ambit2.db.search |
|
| ambit2.db.search.property |
|
| ambit2.db.search.qlabel |
|
| ambit2.db.search.structure |
|
| ambit2.db.search.structure.byproperty |
|
| ambit2.db.search.structure.pairwise |
|
| ambit2.db.simiparity.space |
|
| ambit2.db.substance |
|
| ambit2.db.substance.ids |
|
| ambit2.db.substance.processor |
|
| ambit2.db.substance.properties |
|
| ambit2.db.substance.relation |
|
| ambit2.db.substance.study |
|
| ambit2.db.substance.study.facet |
|
| ambit2.db.update |
|
| ambit2.db.update.bookmark |
|
| ambit2.db.update.bundle |
|
| ambit2.db.update.bundle.chemicals |
|
| ambit2.db.update.bundle.effects |
|
| ambit2.db.update.bundle.endpoints |
|
| ambit2.db.update.bundle.matrix |
|
| ambit2.db.update.bundle.substance |
|
| ambit2.db.update.chemical |
|
| ambit2.db.update.dataset |
|
| ambit2.db.update.dictionary |
|
| ambit2.db.update.fp |
|
| ambit2.db.update.fpae |
|
| ambit2.db.update.model |
|
| ambit2.db.update.property |
|
| ambit2.db.update.propertyannotations |
|
| ambit2.db.update.qlabel |
|
| ambit2.db.update.qlabel.smarts |
|
| ambit2.db.update.queryfolder |
|
| ambit2.db.update.reference |
|
| ambit2.db.update.storedquery |
|
| ambit2.db.update.structure |
|
| ambit2.db.update.value |
|
| ambit2.db.version |
|
| ambit2.dbui |
|
| ambit2.dbui.dictionary |
|
| ambit2.descriptors |
|
| ambit2.descriptors.constitutional |
|
| ambit2.descriptors.fingerprints |
|
| ambit2.descriptors.geometrical |
|
| ambit2.descriptors.processors |
|
| ambit2.descriptors.simmatrix |
|
| ambit2.descriptors.topological |
|
| ambit2.descriptors.utils |
|
| ambit2.domain.stats |
Basic statistics classes
|
| ambit2.domain.stats.datastructures |
Datastructures for the statistics classes
|
| ambit2.domain.stats.transforms |
Statistics : Transformations
Fast Fourie Transform
|
| ambit2.domain.stats.transforms.densityestimation |
Statistics : Density estimation
Non parametric kernel density estimation
|
| ambit2.domain.stats.transforms.transformfilters |
Data transformations (PCA and more)
|
| ambit2.dragon |
|
| ambit2.export.isa |
TODO documentation
|
| ambit2.export.isa.base |
|
| ambit2.export.isa.json |
|
| ambit2.export.isa.tab |
|
| ambit2.export.isa.v1_0 |
|
| ambit2.export.isa.v1_0.objects |
|
| ambit2.featureselection |
|
| ambit2.groupcontribution |
|
| ambit2.groupcontribution.cli |
|
| ambit2.groupcontribution.correctionfactors |
|
| ambit2.groupcontribution.dataset |
|
| ambit2.groupcontribution.descriptors |
|
| ambit2.groupcontribution.fragmentation |
|
| ambit2.groupcontribution.groups |
|
| ambit2.groupcontribution.io |
|
| ambit2.groupcontribution.nmr |
|
| ambit2.groupcontribution.nmr.nmr_1h |
|
| ambit2.groupcontribution.rules |
|
| ambit2.groupcontribution.transformations |
|
| ambit2.groupcontribution.utils |
|
| ambit2.groupcontribution.utils.math |
|
| ambit2.jchempaint.editor |
|
| ambit2.markush |
|
| ambit2.ml.io |
|
| ambit2.ml.io.app |
|
| ambit2.ml.mlib |
|
| ambit2.model |
|
| ambit2.model.builder |
|
| ambit2.model.dataset |
|
| ambit2.model.evaluation |
|
| ambit2.model.numeric |
|
| ambit2.model.numeric.distance |
|
| ambit2.model.structure |
|
| ambit2.mopac |
|
| ambit2.namestructure |
|
| ambit2.pubchem |
|
| ambit2.pubchem.rest |
|
| ambit2.reactions |
|
| ambit2.reactions.cli |
|
| ambit2.reactions.fragmentation |
|
| ambit2.reactions.generator |
|
| ambit2.reactions.generator.score |
|
| ambit2.reactions.generator.score.components |
|
| ambit2.reactions.io |
|
| ambit2.reactions.mapping |
|
| ambit2.reactions.mmp.analysis |
|
| ambit2.reactions.reactor |
|
| ambit2.reactions.retrosynth |
|
| ambit2.reactions.rules |
|
| ambit2.reactions.rules.conditions |
|
| ambit2.reactions.rules.scores |
|
| ambit2.reactions.sets |
|
| ambit2.reactions.syntheticaccessibility |
|
| ambit2.rendering |
|
| ambit2.rest |
|
| ambit2.rest.aa.opensso |
|
| ambit2.rest.algorithm |
|
| ambit2.rest.config |
|
| ambit2.rest.dataset |
|
| ambit2.rest.exception |
|
| ambit2.rest.freemarker |
|
| ambit2.rest.legacy |
|
| ambit2.rest.model |
|
| ambit2.rest.model.builder |
|
| ambit2.rest.model.predictor |
|
| ambit2.rest.model.task |
|
| ambit2.rest.property |
|
| ambit2.rest.rdf |
|
| ambit2.rest.rdf.chembl |
|
| ambit2.rest.rdf.sparql |
|
| ambit2.rest.reporters |
|
| ambit2.rest.structure |
|
| ambit2.rest.study |
|
| ambit2.rest.substance |
|
| ambit2.rest.task |
|
| ambit2.rest.task.dsl |
|
| ambit2.rest.task.weka |
|
| ambit2.rest.wrapper |
|
| ambit2.rules |
|
| ambit2.rules.actions |
|
| ambit2.rules.conditions |
|
| ambit2.rules.conditions.parser |
|
| ambit2.rules.conditions.solvers |
|
| ambit2.rules.conditions.value |
|
| ambit2.rules.functions |
|
| ambit2.rules.json |
|
| ambit2.rules.miscellaneous |
|
| ambit2.rules.weight |
|
| ambit2.search |
|
| ambit2.search.chemidplus |
|
| ambit2.search.csls |
|
| ambit2.search.opentox |
|
| ambit2.similarity |
|
| ambit2.similarity.knn |
|
| ambit2.similarity.measure |
|
| ambit2.similarity.stats |
|
| ambit2.sln |
|
| ambit2.sln.dictionary |
|
| ambit2.sln.io |
|
| ambit2.sln.reaction |
|
| ambit2.sln.search |
|
| ambit2.smarts |
SMARTS parser
|
| ambit2.smarts.groups |
|
| ambit2.smarts.processors |
|
| ambit2.smarts.query |
Ambit implementation of SMARTS parser
|
| ambit2.smarts.smirks |
|
| ambit2.smi23d |
|
| ambit2.some |
|
| ambit2.structure2name |
|
| ambit2.structure2name.components |
|
| ambit2.structure2name.helpers |
|
| ambit2.structure2name.rules |
|
| ambit2.structure2name.rules.parser |
|
| ambit2.tautomers |
|
| ambit2.tautomers.processor |
|
| ambit2.tautomers.ranking |
|
| ambit2.tautomers.rules |
|
| ambit2.tautomers.tools |
|
| ambit2.tautomers.zwitterion |
|
| ambit2.ui |
|
| ambit2.ui.editors |
|
| ambit2.ui.jmol |
|
| ambit2.ui.table |
|
| ambit2.vega |
|