bio-molecular-io

Name: bio-molecular-io
Rating: 5 (1 reviews)
Author: bg-szy

Reads, writes, and converts molecular file formats (SMILES, SDF, MOL2, PDB) using RDKit and Open Babel. Handles structure parsing, canonicalization, and full standardization pipeline including sanitization, normalization, and tautomer canonicalization. Use when loading chemical libraries, converting formats, or preparing molecules for analysis.

1stars

Updated 13 days ago

View on GitHub ↗

How to add

/plugin marketplace add bg-szy/TOP-SKILLS

The exact command may vary by repository. Check the README on GitHub.

For the skill author

Drop this on your repo README

Shows your skill is listed on Skillteca, generates a backlink and trackable traffic.

[![Listada na Skillteca](https://www.skillteca.com.br/api/badge/bio-molecular-io/svg)](https://www.skillteca.com.br/skills/bio-molecular-io?utm_source=badge&utm_medium=readme&utm_campaign=badge)

Related skills

See all in Marketing →

learn-codebase

79.7k

Prime a codebase by reading every source file in full. Use when starting work on a new or unfamiliar project, or when the user asks to "learn the codebase", "read the codebase", "prime", or "get up to speed".

Marketing#aiby thedotmack

remove-deadcode

60.3k

Removes unused code from this project with ultrawork mode, LSP-verified safety, and atomic commits. Triggers: remove dead code, cleanup, remove unused.

Marketingby code-yeongyu

sendgrid-automation

39.2k

Automate SendGrid email delivery workflows including marketing campaigns (Single Sends), contact and list management, sender identity setup, and email analytics through Composio's SendGrid toolkit.

Marketing#github#gitby sickn33

seo

39.2k

Run a broad SEO audit across technical SEO, on-page SEO, schema, sitemaps, content quality, AI search readiness, and GEO. Use as the umbrella skill when the user asks for a full SEO analysis or strategy.

Marketing#seo#githubby sickn33

Category alert

Get new Marketing skills every Monday

One short email with only the new Marketing skills. 4 minutes of reading, no spam, unsubscribe with one click.

You confirm your email on the first send. No spam. Unsubscribe with one click.

Version Compatibility

Reference examples tested with: RDKit 2024.03+

Before using code patterns, verify installed versions match. If versions differ:

Python: pip show <package> then help(module.function) to check signatures

If code throws ImportError, AttributeError, or TypeError, introspect the installed package and adapt the example to match the actual API rather than retrying.

Molecular I/O

"Load my chemical library into Python" → Parse molecular file formats (SMILES, SDF,

[Description truncada. Veja o README completo no GitHub.]

ShareX LinkedIn

Comments · No comments

No comments yet. Be the first.