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Leo Gaskin leotaku

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leotaku / smiles.csv
Created August 14, 2025 07:34
molecule name molecule_chembl_id smiles DNT
2-Methoxyethanol CHEMBL444144 COCCO Positive
3,3'-Iminobispropanenitrile N#CCCNCCC#N Positive
5-Fluorouracil CHEMBL185 Fc1c[nH]c(=O)[nH]c1=O Positive
Acrylamide CHEMBL348107 NC(=O)C=C Positive
Aldicarb CHEMBL3182309 CNC(=O)ON=CC(SC)(C)C Positive
Captan CHEMBL388676 ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl Positive
Carbaryl CHEMBL46917 CNC(=O)Oc1cccc2c1cccc2 Positive
Chlorpyrifos CHEMBL463210 CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC Positive
Colchicine CHEMBL107 COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)OC Positive
@leotaku
leotaku / MCP.ipynb
Created August 14, 2025 07:11
MCP.ipynb
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@leotaku
leotaku / grid.json
Created June 19, 2024 13:52
This file has been truncated, but you can view the full file.
[{"grid": [-11.088884782044374, -10.694966086893396, -10.316383505959434, -9.449189831520101, -9.114307393095675, -8.642815774109836, -8.348460505306008, -8.076504570747721, -7.749319955390895, -7.517500087026008, -7.468069508239438, -7.277162544991816, -7.117791081506596, -6.991708976904583, -6.90038053965881, -6.844903886570698, -6.825950288001211, -6.8437266754975425, -6.89796574811583, -6.987944539240157, -7.112528674809118, -7.270236601494998, -6.58191695448506, -6.642825924671579, -6.732045905107939, -5.764259945146812, -5.839561816558691, -5.938669897696077, -5.4731657443256045, -5.582421945385468, -5.71218049201238, -6.2062806804150945, -6.3299179269425405, -6.50706200047647, -6.70189080191029, -6.913142504419362, -7.139576185285534, -5.897609495754526, -6.091919920189922, -6.296720071646657, -6.511175505113661, -6.734505833879894, -6.965986223505221, -7.204947119935273, -5.825005113480847, -5.204017040362259, -5.320307773547103, -4.839133758758357, -4.9230224970883585, -4.564542432799805, -4.62181174
@leotaku
leotaku / grid.json
Last active June 19, 2024 13:51
[{"smiles": "C", "x": 0.4612505530531106, "y": 0.010893172096152981}, {"smiles": "CCO", "x": 0.48768851646987316, "y": 0.07261061119534706}, {"smiles": "CC(=O)OC1=CC=CC=C1C(O)=O", "x": 0.39173498386408956, "y": 0.3259543587530152}]
@leotaku
leotaku / xcape.dyon
Created July 13, 2023 18:10
Simple evscript xcape configuration.
//! [device] # this section is optional, all these fields have nice defaults
//! name = "evscript demo"
//! bustype = 6 # https://github.com/cmr/evdev/blob/04761b788fcd6722b6283fb98d1578b81559fd1a/src/lib.rs#L471-L489
//! vendor = 1
//! product = 2
//! version = 3
//! [events] # this is required! because the kernel will violently reject events not defined here
//! keys = ['ESC', 'RIGHTALT']
fn main() ~ evdevs, uinput {
@leotaku
leotaku / amv-drop.nft
Created July 13, 2023 18:06
nftables filter configuration to drop diagnostic packets sent by some AMV brand routers
#!/usr/sbin/nft -f
table netdev filter {
chain ingress {
type filter hook ingress device wlp61s0 priority 0; policy accept;
meta protocol {0x8912, 0x88e1} drop;
}
}
@leotaku
leotaku / try-contour-without-kde.json
Created March 29, 2023 21:22
Vega spec from Wed Mar 29 2023
{
"$schema": "https://vega.github.io/schema/vega/v5.json",
"width": 600,
"height": 300,
"signals": [
{
"name": "target",
"value": "BCRP",
"bind": {
"input": "select",
@leotaku
leotaku / überschriften
Created January 9, 2020 19:39
\RedeclareSectionCommand[
runin=false,%
afterskip=-0.2\parskip%
]{section}
\RedeclareSectionCommand[
runin=false,%
afterskip=-0.4\parskip%
]{subsection}
\RedeclareSectionCommand[
runin=false,%
@leotaku
leotaku / gist:a6b487530eaf37366171fdf211df0641
Created January 9, 2020 19:37
\RedeclareSectionCommand[
runin=false,%
afterskip=-0.2\parskip%
]{section}
\RedeclareSectionCommand[
runin=false,%
afterskip=-0.4\parskip%
]{subsection}
\RedeclareSectionCommand[
runin=false,%
@leotaku
leotaku / gist:f3c4b02661e838387a123400bb2b7b1e
Created December 22, 2019 18:01
#!/nix/store/xb062l4b76zyhq6grqf4iyfdikkpg8fl-bash-4.4-p23/bin/bash
export PATH="..."
export RESTIC_PASSWORD_FILE="..."
export RESTIC_REPOSITORY="..."
/nix/store/xkpvnml2nw0c634rp59yxfda2l943ck7-restic-0.9.6-bin/bin/restic backup --exclude /home/leo/large --exclude /home/leo/.rustup --exclude /home/leo/.maildir/.notmuch --exclude /home/leo/.local/share --exclude /home/leo/.var/app --exclude /home/leo/.multimc --exclude /home/leo/.technic --exclude /home/leo/.cache --exclude /home/leo/.cargo --exclude /home/leo/**/target --exclude /home/leo/**/*.rlib --exclude /home/leo/**/*.rmeta --exclude /home/leo/**/*.o --exclude /home/leo/**/*.a --exclude /home/leo/**/*.so --limit-upload 5000 /home/leo