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input_mapping:
"%SA":
label: "Percentage of SA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%ADP':
label: "Percentage of DP"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%DDDA':
label: "Percentage of DDDA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.11
example: 0
'%AZL':
label: "Percentage of AZL"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%1,4-CHDA':
label: "Percentage of 1.4-CHDA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 30.5
'%1,4-CHDA (95% trans)':
label: "Percentage of 1.4-CHDA (95% trans)"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%1,3-CHDA':
label: "Percentage of 1.3-CHDA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%1,2-CHDA':
label: "Percentage of 1.2-CHDA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%HHPA':
label: "Percentage of HHPA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%PA':
label: "Percentage of PA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%IPA':
label: "Percentage of IPA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 49.8
'%TPA':
label: "Percentage of TPA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 19.7
'%TMA':
label: "Percentage of TMA"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%EG':
label: "Percentage of EG"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%DEG':
label: "Percentage of DEG"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%1,3-PROP':
label: "Percentage of 1.3-PROP"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%1,4-BUT':
label: "Percentage of 1.4-BUT"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%HDO':
label: "Percentage of HDO"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%NPG':
label: "Percentage of NPG"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%1,4-CHDM':
label: "Percentage of 1.4-CHDM"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 48.4
'%1,3-CHDM':
label: "Percentage of 1.3-CHDM"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'%TMCD':
label: "Percentage of TMCD"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 50.8
'%TMP':
label: "Percentage of TMP"
comp_type: Slider
minimum: 0
maximum: 100
step: 1
example: 0
'%MPD':
label: "Percentage of MPD"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0.8
'%TCDDM':
label: "Percentage of TCDDM"
comp_type: Slider
minimum: 0
maximum: 100
step: 0.1
example: 0
'Mw (PS)':
label: "Weight-average molecular weight (PS)"
comp_type: Number
precision: 0
example: 28004
'AN':
label: "Acid number"
comp_type: Number
precision: 2
example: 4.46
'OHN':
label: "Hydroxyl number"
comp_type: Number
precision: 0
example: 14
input_order:
- keys: ['%SA', '%ADP', '%DDDA', '%AZL', '%1,4-CHDA', '%1,4-CHDA (95% trans)', '%1,3-CHDA', '%1,2-CHDA', '%HHPA', '%PA', '%IPA', '%TPA', '%TMA']
markdown: "Your acid proportions"
- keys: ['%EG', '%DEG', '%1,3-PROP', '%1,4-BUT', '%HDO', '%NPG', '%1,4-CHDM', '%1,3-CHDM', '%TMCD', '%TMP', '%MPD', '%TCDDM']
markdown: "Your glycol proportions"
- keys: ['Mw (PS)', "AN", "OHN"]
markdown: "Your additional molecular information"
output_mapping:
Tg:
label: "Estimated Tg (°C) of your polymer"
comp_type: "Number"
precision: 0
Tg_uncertainty:
label: "Prediction uncertainty (%)"
comp_type: "Number"
precision: 0
IV:
label: "Estimated IV (dL/g) of your polymer"
comp_type: "Number"
precision: 0
IV_uncertainty:
label: "Prediction uncertainty (%)"
comp_type: "Number"
precision: 0
# Output order must exclude the interpretation
output_order:
- keys: ["Tg", "Tg_uncertainty"]
markdown: "Tg of your polymer"
- keys: ["IV", "IV_uncertainty"]
markdown: "IV of your polymer"
interface_parameters:
additional_markdown:
page_title: "Polymer's Tg and IV prediction"
main_title: "Predict the glass transition temperature (Tg) and intrinsic viscosity (IV) of your material"
details: "This AI model provides the estimation of the Tg and IV from polymer compounding"
interpretation: "Results interpretation" # Necessary only for prediction (useless for inverse design)
size:
input_column_scale: 0.5
input_column_min_width: 80
inference:
model_path: "./polymerlearn/data_models/"
encoder_path: ""
scaler_inputs_path: ""
scaler_targets_path: ""
explainer_path: ""
inverse_design: True
webapp:
server_port: 7860 |