@mat3ra/esse 2024.3.20-0 → 2024.3.25-0

package/lib/js/schema/methods_directory/legacy/regression.json

@@ -1,185 +0,0 @@
-{
-    "$id": "methods-directory/legacy/regression",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "legacy method regression",
-    "type": "object",
-    "required": [
-        "data",
-        "precision",
-        "subtype",
-        "type"
-    ],
-    "properties": {
-        "type": {
-            "enum": [
-                "linear",
-                "kernel_ridge"
-            ],
-            "description": "general type of this method, eg. `pseudopotential`",
-            "type": "string"
-        },
-        "subtype": {
-            "enum": [
-                "least_squares",
-                "ridge"
-            ],
-            "description": "general subtype of this method, eg. `ultra-soft`",
-            "type": "string"
-        },
-        "precision": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "regression precision",
-            "type": "object",
-            "description": "Object showing the actual possible precision based on theory and implementation",
-            "properties": {
-                "perProperty": {
-                    "type": "array",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "regression precision per property schema",
-                        "type": "object",
-                        "required": [
-                            "trainingError"
-                        ],
-                        "properties": {
-                            "name": {
-                                "description": "property name in 'flattened' format",
-                                "type": "string"
-                            },
-                            "trainingError": {
-                                "description": "training error of the estimator",
-                                "type": "number"
-                            },
-                            "score": {
-                                "description": "prediction score of the estimator. Eg: r2_score",
-                                "type": "number"
-                            }
-                        }
-                    }
-                }
-            }
-        },
-        "data": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "regression data",
-            "type": "object",
-            "description": "additional data specific to method, eg. array of pseudopotentials",
-            "properties": {
-                "perProperty": {
-                    "type": "array",
-                    "items": {
-                        "oneOf": [
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "linear regression parameters schema",
-                                "type": "object",
-                                "properties": {
-                                    "intercept": {
-                                        "description": "intercept (shift) from the linear or non-linear fit of data points",
-                                        "type": "number"
-                                    },
-                                    "perFeature": {
-                                        "type": "array",
-                                        "description": "per-feature (property used for training the ML method/model) parameters",
-                                        "items": {
-                                            "$schema": "http://json-schema.org/draft-07/schema#",
-                                            "title": "per-feature (property used for training the ML method/model) parameters schema",
-                                            "type": "object",
-                                            "required": [
-                                                "name"
-                                            ],
-                                            "properties": {
-                                                "coefficient": {
-                                                    "description": "coefficient in linear regression",
-                                                    "type": "number"
-                                                },
-                                                "name": {
-                                                    "description": "feature name",
-                                                    "type": "string"
-                                                },
-                                                "importance": {
-                                                    "description": "pvalue: https://en.wikipedia.org/wiki/P-value",
-                                                    "type": "number"
-                                                }
-                                            }
-                                        }
-                                    }
-                                },
-                                "required": [
-                                    "intercept",
-                                    "perFeature"
-                                ]
-                            },
-                            {
-                                "$schema": "http://json-schema.org/draft-07/schema#",
-                                "title": "kernel-ridge regression parameters schema",
-                                "type": "object",
-                                "properties": {
-                                    "xFit": {
-                                        "description": "training data",
-                                        "type": "array"
-                                    },
-                                    "dualCoefficients": {
-                                        "description": "dual coefficients",
-                                        "type": "array"
-                                    },
-                                    "perFeature": {
-                                        "type": "array",
-                                        "description": "per-feature (property used for training the ML method/model) parameters",
-                                        "items": {
-                                            "$schema": "http://json-schema.org/draft-07/schema#",
-                                            "title": "per-feature (property used for training the ML method/model) parameters schema",
-                                            "type": "object",
-                                            "required": [
-                                                "name"
-                                            ],
-                                            "properties": {
-                                                "coefficient": {
-                                                    "description": "coefficient in linear regression",
-                                                    "type": "number"
-                                                },
-                                                "name": {
-                                                    "description": "feature name",
-                                                    "type": "string"
-                                                },
-                                                "importance": {
-                                                    "description": "pvalue: https://en.wikipedia.org/wiki/P-value",
-                                                    "type": "number"
-                                                }
-                                            }
-                                        }
-                                    }
-                                },
-                                "required": [
-                                    "xFit",
-                                    "dualCoefficients",
-                                    "perFeature"
-                                ]
-                            }
-                        ]
-                    }
-                },
-                "dataSet": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "description": "dataset for ml",
-                    "type": "object",
-                    "required": [
-                        "exabyteIds"
-                    ],
-                    "properties": {
-                        "exabyteIds": {
-                            "description": "array of exabyteIds for materials in dataset",
-                            "type": "array",
-                            "items": {
-                                "type": "string"
-                            }
-                        },
-                        "extra": {
-                            "description": "holder for any extra information, eg. coming from user-uploaded CSV file"
-                        }
-                    }
-                }
-            }
-        }
-    }
-}

package/lib/js/schema/methods_directory/legacy/unknown.json

@@ -1,34 +0,0 @@
-{
-    "$id": "methods-directory/legacy/unknown",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "legacy method unknown",
-    "type": "object",
-    "required": [
-        "type",
-        "subtype"
-    ],
-    "properties": {
-        "type": {
-            "enum": [
-                "unknown"
-            ],
-            "description": "general type of this method, eg. `pseudopotential`",
-            "type": "string"
-        },
-        "subtype": {
-            "enum": [
-                "unknown"
-            ],
-            "description": "general subtype of this method, eg. `ultra-soft`",
-            "type": "string"
-        },
-        "precision": {
-            "description": "Object showing the actual possible precision based on theory and implementation",
-            "type": "object"
-        },
-        "data": {
-            "description": "additional data specific to method, eg. array of pseudopotentials",
-            "type": "object"
-        }
-    }
-}

package/lib/js/schema/methods_directory/mathematical/cg.json

@@ -1,207 +0,0 @@
-{
-    "$id": "methods-directory/mathematical/cg",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "Unit method conjugate gradient",
-    "description": "conjugate gradient method schema",
-    "type": "object",
-    "required": [
-        "categories"
-    ],
-    "properties": {
-        "categories": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "Conjugate gradient method schema",
-            "type": "object",
-            "description": "Used to categorize entities such as models and methods",
-            "properties": {
-                "type": {
-                    "enum": [
-                        "cg"
-                    ],
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier3": {
-                    "enum": [
-                        "ordern"
-                    ],
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier2": {
-                    "enum": [
-                        "diff"
-                    ],
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier1": {
-                    "enum": [
-                        "opt"
-                    ],
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "subtype": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                }
-            }
-        },
-        "parameters": {
-            "description": "Instructive parameters defining the method",
-            "type": "object"
-        },
-        "precision": {
-            "description": "Object showing the actual possible precision based on theory and implementation",
-            "type": "object"
-        },
-        "name": {
-            "description": "entity name",
-            "type": "string"
-        },
-        "path": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "category path schema",
-            "description": "TODO: Use regex once schema draft version has been updated",
-            "type": "string"
-        },
-        "tags": {
-            "description": "entity tags",
-            "type": "array",
-            "items": {
-                "type": "string"
-            }
-        }
-    }
-}

package/lib/js/schema/methods_directory/mathematical/davidson.json

@@ -1,204 +0,0 @@
-{
-    "$id": "methods-directory/mathematical/davidson",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "Unit method davidson schema",
-    "description": "Davidson diagonalization method",
-    "type": "object",
-    "required": [
-        "categories"
-    ],
-    "properties": {
-        "categories": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "Davidson diagonalization method schema",
-            "type": "object",
-            "description": "Used to categorize entities such as models and methods",
-            "properties": {
-                "type": {
-                    "enum": [
-                        "davidson"
-                    ],
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier2": {
-                    "enum": [
-                        "diag"
-                    ],
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier1": {
-                    "enum": [
-                        "linalg"
-                    ],
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier3": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "subtype": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                }
-            }
-        },
-        "parameters": {
-            "description": "Instructive parameters defining the method",
-            "type": "object"
-        },
-        "precision": {
-            "description": "Object showing the actual possible precision based on theory and implementation",
-            "type": "object"
-        },
-        "name": {
-            "description": "entity name",
-            "type": "string"
-        },
-        "path": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "category path schema",
-            "description": "TODO: Use regex once schema draft version has been updated",
-            "type": "string"
-        },
-        "tags": {
-            "description": "entity tags",
-            "type": "array",
-            "items": {
-                "type": "string"
-            }
-        }
-    }
-}