m3triq 0.2.6 → 0.2.7

package/dist/cli.js

@@ -24,7 +24,7 @@ const program = new Command();
 program
     .name('m3t')
     .description('M3TRIQ — protein-ligand analysis from the terminal')
-    .version('0.2.6')
+    .version('0.2.7')
     .option('--json', 'Output as JSON (machine-readable)')
     .hook('preAction', (thisCommand) => {
     const opts = thisCommand.optsWithGlobals();

package/dist/commands/design.js

@@ -67,8 +67,8 @@ export function registerDesignCommands(program) {
         .argument('<target>', 'Target PDB ID (e.g., 6VXX) or path to .pdb file')
         .requiredOption('--hotspots <residues>', 'Binding hotspot residues (e.g., A100,A105,A110)')
         .option('--type <type>', 'Antibody type: nanobody or scfv', 'nanobody')
-        .option('--designs <n>', 'Number of designs (1-10)', parseInt, 3)
-        .option('--seqs <n>', 'Sequences per backbone (1-8)', parseInt, 1)
+        .option('--designs <n>', 'Number of designs (1-10)', (v) => parseInt(v, 10), 3)
+        .option('--seqs <n>', 'Sequences per backbone (1-8)', (v) => parseInt(v, 10), 1)
         .option('--cdr <loops>', 'CDR loop specs (e.g., H1:7,H2:6,H3:5-13)')
         .description('Design de novo antibodies with RFAntibody (Azure T4 GPU, ~3-5 min)')
         .action(async (target, opts) => {

package/dist/commands/predict.js

@@ -28,9 +28,9 @@ export function registerPredictCommands(program) {
         .option('--dna <seq>', 'DNA sequence (or @path to file). Repeatable.', collectArg, [])
         .option('--rna <seq>', 'RNA sequence (or @path to file). Repeatable.', collectArg, [])
         .option('--ligand <smiles_or_ccd>', 'Ligand as SMILES or CCD code (e.g. ATP). Repeatable.', collectArg, [])
-        .option('--samples <n>', 'Number of structure samples (1-25, default: 1)', parseInt, 1)
-        .option('--recycling <n>', 'Recycling steps (1-10, default: 3)', parseInt, 3)
-        .option('--sampling <n>', 'Diffusion sampling steps (10-1000, default: 50)', parseInt, 50)
+        .option('--samples <n>', 'Number of structure samples (1-25, default: 1)', (v) => parseInt(v, 10), 1)
+        .option('--recycling <n>', 'Recycling steps (1-10, default: 3)', (v) => parseInt(v, 10), 3)
+        .option('--sampling <n>', 'Diffusion sampling steps (10-1000, default: 50)', (v) => parseInt(v, 10), 50)
         .option('--name <name>', 'Custom job title')
         .action(async (opts) => {
         await runBoltz2(opts);

package/package.json

@@ -1,13 +1,21 @@
 {
   "name": "m3triq",
-  "version": "0.2.6",
-  "description": "M3TRIQ — protein-ligand analysis from the terminal",
+  "version": "0.2.7",
+  "description": "M3TRIQ \u2014 protein-ligand analysis from the terminal",
   "type": "module",
   "bin": {
     "m3t": "./dist/cli.js"
   },
   "main": "dist/cli.js",
-  "keywords": ["bioinformatics", "chembl", "docking", "protein", "ligand", "drug-discovery", "cli"],
+  "keywords": [
+    "bioinformatics",
+    "chembl",
+    "docking",
+    "protein",
+    "ligand",
+    "drug-discovery",
+    "cli"
+  ],
   "repository": {
     "type": "git",
     "url": "https://github.com/M3TRIQ/m3t.git"
@@ -28,6 +36,8 @@
     "@types/node": "^22.0.0",
     "typescript": "^5.7.0"
   },
-  "files": ["dist"],
+  "files": [
+    "dist"
+  ],
   "license": "MIT"
 }