tommy-instance commited on
Commit
33565e1
·
verified ·
1 Parent(s): 1524ae0

include-docs

Browse files
Files changed (1) hide show
  1. DOCS.md +97 -0
DOCS.md ADDED
@@ -0,0 +1,97 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ # Example Instance Datasets
2
+
3
+ This folder contains three example datasets that would be available to the user for downstream model training. The derived data is calculated from
4
+ log probabilities of each library candidate in an assay sample. An assay sample is defined by the library sequenced at different stages of the assay. The different stages are:
5
+
6
+ - Bacterial Outgrowth
7
+ - Phage Expression
8
+ - 1 nM Dose of Target
9
+ - 10 nM Dose of Target
10
+ - 100 nM Dose of Target
11
+ - 1000 nM Dose of Target
12
+ - Blank Dose of Target
13
+
14
+ The dosing stages are specific to a target molecule, so the dataset will include rows for each target that was tested for the library.
15
+
16
+ The base dataset contains the log probabilities used to derive the relative dissociation constants and expression levels contained in the other datasets.
17
+
18
+ ## Base Log Probability Dataset
19
+
20
+ This dataset contains metadata columns that are useful for filtering and grouping the data. The columns are:
21
+
22
+ - `experiment_name`: The name of the experiment/library you ordered.
23
+ - `target_name`: The name of the target molecule tested.
24
+ - `candidate_name`: The name of the generated protein candidate in the library.
25
+ - `candidate_id`: A unique identifier that is specific to the candidate sequence.
26
+ - `experiment_replicate_num`: Any experiment/library can be replicated resulting in repeat samples that are run through the same assay workflow. This value is used to distinguish between experimental replicates.
27
+ - `clone_num`: The index associated with a clone of a library candidate. This gets used to find means and variances for each library candidate.
28
+
29
+ The dataset contains sequence information for each library candidate clone. The columns are:
30
+
31
+ - `candidate_sequence`: The designed sequence of the library candidate from the order form.
32
+ - `clone_sequence`: The consensus sequence of the library candidate clone validated by NGS.
33
+
34
+ Finally, the dataset contains the log probabilities of each library candidate clone at each stage of the assay. The columns are:
35
+
36
+ - `bacterial_outgrowth_log_prob`: The log probability of the library candidate clone being expressed after transformation and bacterial outgrowth.
37
+ - `phage_expression_log_prob`: The log probability of the library candidate clone being expressed in phage.
38
+ - `dose_1nM_log_prob`: The log probability of the library candidate clone being expressed at 1 nM.
39
+ - `dose_10nM_log_prob`: The log probability of the library candidate clone being expressed at 10 nM.
40
+ - `dose_100nM_log_prob`: The log probability of the library candidate clone being expressed at 100 nM.
41
+ - `dose_1000nM_log_prob`: The log probability of the library candidate clone being expressed at 1000 nM.
42
+ - `dose_blank_log_prob`: The log probability of the library candidate clone being expressed at a blank dose.
43
+
44
+ We also know the standard deviation of each of the log probability estimates. The columns are:
45
+
46
+ - `bacterial_outgrowth_log_prob_std`: The standard deviation of the log probability of the library candidate clone being expressed after transformation and bacterial outgrowth.
47
+ - `phage_expression_log_prob_std`: The standard deviation of the log probability of the library candidate clone being expressed in phage.
48
+ - `dose_1nM_log_prob_std`: The standard deviation of the log probability of the library candidate clone being expressed at 1 nM.
49
+ - `dose_10nM_log_prob_std`: The standard deviation of the log probability of the library candidate clone being expressed at 10 nM.
50
+ - `dose_100nM_log_prob_std`: The standard deviation of the log probability of the library candidate clone being expressed at 100 nM.
51
+ - `dose_1000nM_log_prob_std`: The standard deviation of the log probability of the library candidate clone being expressed at 1000 nM.
52
+ - `dose_blank_log_prob_std`: The standard deviation of the log probability of the library candidate clone being expressed at a blank dose.
53
+
54
+ ## pKD Dataset
55
+
56
+ This dataset contains the relative dissociation constants for each library candidate clone. The dissociation constants are relative
57
+ to the average dissociation constant of the entire library. Knowledge of absolute dissociation constants of any library candidate
58
+ would set the scale and allow derivation of absolute dissociation constants for each library candidate. The relative dissociation
59
+ constants are averaged over all clones of a library candidate producing a single value for each library candidate.
60
+
61
+ The metadata columns are nearly the same as the base dataset. The `clone_num` column is removed as it was used to calculate the relative
62
+ dissociation constants. The metadata columns columns are:
63
+
64
+ - `experiment_name`
65
+ - `target_name`
66
+ - `candidate_name`
67
+ - `candidate_id`
68
+ - `experiment_replicate_num`
69
+
70
+ The rest of the dataset would be values that are directly consumed by model training. The columns are:
71
+
72
+ - `candidate_sequence`
73
+ - `pK_D_relative`
74
+ - `pK_D_relative_std`
75
+
76
+ ## Candidate Expression Dataset
77
+
78
+ This dataset contains the expression levels for each library candidate. The metadata columns are the same as the pKD dataset. The columns are:
79
+
80
+ - `experiment_name`
81
+ - `target_name`
82
+ - `candidate_name`
83
+ - `candidate_id`
84
+ - `experiment_replicate_num`
85
+
86
+ The rest of the dataset would be values that are directly consumed by model training. The columns are:
87
+
88
+ - `candidate_sequence`
89
+ - `log_enrichment_expression`
90
+ - `log_enrichment_expression_std`
91
+
92
+ ## Note on dataset size
93
+
94
+ The base dataset is going to be larger than the pKD or candidate expression datasets because it contains rows for each clone of each library candidate. There are typically ~100 clones of each library candidate.
95
+ So, the number of rows in the base dataset is N_candiates * N_targets * N_replicates * N_clones.
96
+
97
+ The pKD and expression datasets are smaller because they average over the clones of each library candidate. So, the number of rows becoms N_candidates * N_targets * N_replicates.