really remove all KRAS proteins

combine_dbs.ipynb

@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": 1,
    "id": "95bd761a-fe51-4a8e-bc70-1365260ba5f8",
    "metadata": {},
    "outputs": [],
@@ -12,7 +12,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": 2,
    "id": "b0859483-5e19-4280-9f53-0d00a6f22d34",
    "metadata": {},
    "outputs": [],
@@ -23,7 +23,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": 3,
    "id": "f30732b7-7444-47ad-84e7-566e7a6f2f8e",
    "metadata": {},
    "outputs": [
@@ -104,7 +104,7 @@
        "4  CO[C@@H]1[C@H](O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1...        0.185  "
       ]
      },
-     "execution_count": 6,
+     "execution_count": 3,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -115,7 +115,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 4,
    "id": "2787b9fd-3d6f-4ae3-a3ad-d3539b72782b",
    "metadata": {},
    "outputs": [],
@@ -135,7 +135,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": 5,
    "id": "d1abe1c8-ac66-4289-8964-367a5b18528d",
    "metadata": {},
    "outputs": [],
@@ -146,7 +146,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
+   "execution_count": 6,
    "id": "988bab9c-5147-44e2-92ef-902eaf3c5a90",
    "metadata": {},
    "outputs": [
@@ -227,7 +227,7 @@
        "4  OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H...      0.00099  "
       ]
      },
-     "execution_count": 9,
+     "execution_count": 6,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1250,7 +1250,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 38,
+   "execution_count": 16,
    "id": "8f949038-d07d-4d3a-a47e-b825cc9018ca",
    "metadata": {},
    "outputs": [],
@@ -1260,7 +1260,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 39,
+   "execution_count": 17,
    "id": "0c027988-0b44-4010-ad61-7d70eead1654",
    "metadata": {},
    "outputs": [],
@@ -1270,7 +1270,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 40,
+   "execution_count": 18,
    "id": "6aeba020-b6ff-4633-902e-4df74463eb2f",
    "metadata": {},
    "outputs": [],
@@ -1280,7 +1280,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 41,
+   "execution_count": 19,
    "id": "91196eee-5fd0-4aa4-927a-5c1a3f436ac8",
    "metadata": {},
    "outputs": [
@@ -1290,7 +1290,7 @@
        "(array([6.51286529]), array([2.4379995]))"
       ]
      },
-     "execution_count": 41,
+     "execution_count": 19,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1301,7 +1301,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 42,
+   "execution_count": 21,
    "id": "56269dcb-e691-4759-949d-7bfdd02f5fd4",
    "metadata": {},
    "outputs": [],
@@ -1311,17 +1311,18 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 43,
+   "execution_count": 7,
    "id": "c6c64066-4032-4247-a8b9-00388176cc7b",
    "metadata": {},
    "outputs": [],
    "source": [
-    "df.to_parquet('data/all.parquet')"
+    "#df.to_parquet('data/all.parquet')\n",
+    "df = pd.read_parquet('data/all.parquet')"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 44,
+   "execution_count": 22,
    "id": "469cf0dd-7b87-4245-973c-2a445e1fcca9",
    "metadata": {},
    "outputs": [
@@ -1333,7 +1334,7 @@
        "      dtype='object')"
       ]
      },
-     "execution_count": 44,
+     "execution_count": 22,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1344,7 +1345,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 48,
+   "execution_count": 23,
    "id": "d91c0d91-474c-4ab2-9a5e-3b7861f7a832",
    "metadata": {},
    "outputs": [
@@ -1370,7 +1371,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 49,
+   "execution_count": 24,
    "id": "0e895ef5-1812-46c7-a4c2-dd6619b49157",
    "metadata": {},
    "outputs": [
@@ -1380,7 +1381,7 @@
        "1927202"
       ]
      },
-     "execution_count": 49,
+     "execution_count": 24,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1391,7 +1392,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 54,
+   "execution_count": 25,
    "id": "b85f8b72-8dfc-4a24-b5b8-51fcbe6dcf63",
    "metadata": {},
    "outputs": [
@@ -1408,7 +1409,7 @@
        " 'scale_': array([1.56140946])}"
       ]
      },
-     "execution_count": 54,
+     "execution_count": 25,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1419,7 +1420,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 63,
+   "execution_count": 26,
    "id": "ec0ef8e2-c0e9-4c9b-bf3a-c98cc3889475",
    "metadata": {},
    "outputs": [
@@ -1436,7 +1437,7 @@
        " 'scale_': array([1.56140946])}"
       ]
      },
-     "execution_count": 63,
+     "execution_count": 26,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1447,7 +1448,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 67,
+   "execution_count": 27,
    "id": "15f8d5b9-37d5-453e-a6df-df6510cc5c81",
    "metadata": {},
    "outputs": [],
@@ -1477,7 +1478,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 78,
+   "execution_count": 29,
    "id": "8dec95dc-a014-4d39-ae51-8de981173573",
    "metadata": {},
    "outputs": [],
@@ -1488,27 +1489,27 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 81,
+   "execution_count": 45,
    "id": "3f90eadd-d7e4-4104-961f-adaf5437e24b",
    "metadata": {},
    "outputs": [],
    "source": [
-    "df_nokras = df[df.seq!=seq_kras_wt]"
+    "df_nokras = df[~df.seq.str.startswith(seq_kras_wt[:20])]"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 83,
+   "execution_count": 46,
    "id": "f5f5335a-8f28-4058-8647-fcc8f7d2f841",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "1926945"
+       "1926799"
       ]
      },
-     "execution_count": 83,
+     "execution_count": 46,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -1519,7 +1520,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 84,
+   "execution_count": 47,
    "id": "47966268-c97c-4bd9-9c90-eb568249f2ef",
    "metadata": {},
    "outputs": [],
@@ -1538,7 +1539,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
    "name": "python3"
   },
@@ -1552,7 +1553,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.9.4"
+   "version": "3.9.6"
   }
  },
  "nbformat": 4,

data/all_nokras.parquet

@@ -1,3 +1,3 @@
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-size 247026529
+oid sha256:2317000538f9f8926d892e945de9175ca5745e3cefa28b5b521cc627f36b1996
+size 247212299