Want to help Open Babel and get paid this summer, being mentored by our dev team? We are happy to be part of #GSoC2022 (Google Summer of Code by @GoogleOSS) through @OpenChem - please take a look at our projects and get in touch!
summerofcode.withgoogle.com/…
Open Babel retweeted
Open Babel is now available for osx-arm64 on conda-forge to support Apple Silicon! Would be interested to hear if anyone with an M1 Mac is able to test if the package works. @OpenBabel_org @condaforge anaconda.org/conda-forge/ope…
Anyone with full list of Tripos / SYBYL atom types?
Would anyone have an old Tripos user manual, or otherwise a complete list of SYBYL atom types lying around? Having this publically available would help @mdanalysis and others make a more robust mol2 writer format. @davidlmobley #compchem
Are you a student interested in summer coding - consider applying to @gsoc as part of Open Babel and @OpenChem
wiki.openchemistry.org/Apply…
With @OpenBabel_org:
- implementing molecular standardization / validation checks
- developing a JavaScript interface - particularly file conversion
- integrating better 2D coordinate layout using the new CoordGen library
wiki.openchemistry.org/GSoC_…
Open Babel retweeted
I've written some docs on using Open Babel to handle stereochemistry. If there's anything you feel is missing/unclear, now's the time to say.
github.com/openbabel/documen…
Open Babel retweeted
The version 1.0.0 of Mychem is released! Based on @OpenBabel_org, it provides a set of functions for handling chemical data (i.e. searching, converting) within @MySQL or @mariadb. See more on github.com/mychem/mychem-cod…
Happy to announce the release of Open Babel 3.0!
This is a major update, including many significant new features, tossing some old deprecated code.
Thanks to many, especially @baoilleach for pushing this release.
github.com/openbabel/openbab…
Interested in #hacktoberfest2019 ?
We’re finishing up v3.0 and moving on to new issues and pull requests to get started:
github.com/openbabel/openbab…
xitter.cf/hacktoberfest/status/1…
Hey, everyone! The full #hacktoberfest site is now live and REGISTRATION for Hacktoberfest 2019 is OPEN! 📝 This year’s event is brought to you by @digitalocean and @ThePracticalDev! 💙 hacktoberfest.digitalocean.c… 🔗
Open Babel retweeted
Our new Essential Open Source Software for #Science call for applications aims to accelerate biomedicine by supporting #software maintenance, growth, development + community engagement bit.ly/2Q4G1zR
Looking forward to more great summer work - including collaborating with @RDKit_org on improved coordinate generation methods.
We have seven @gsoc projects this year covering a range of #OpenSource chemistry projects. Please join us in welcoming our students this year! #OpenScience summerofcode.withgoogle.com/…
This work to improve the speed and accuracy of coordinate generation will be part of the next release of Open Babel.
Just out on @ChemRxiv - work with Naruki Yoshikawa as part of last year’s @gsoc with @OpenChem:
Fast, Efficient Fragment-Based Coordinate Generation for @OpenBabel_org - doi.org/10.26434/chemrxiv.77…
We’re pleased that for the 4th year, Open Babel will be part of @gsoc through @OpenChem - you can find some example ideas and how to apply at openchemistry.org/gsoc/
Open Babel retweeted
Using @OpenBabel_org, @golang and 3dmol.js to analyse results of Smina (@david_koes) virtual screenings and to create HTML reports containing the binding modes as interactive widgets: github.com/apahl/vstools. Love #opensource
Open Babel retweeted
Noel's ACS talk on "A de facto standard or a free-for-all? A benchmark for reading SMILES."
slideshare.net/NextMoveSoftw…
#ACSCINF
Open Babel retweeted
Just merged to master: my rewrite of reaction handling in #openbabel. Lays the groundwork for improved support for reactions across the board.
github.com/openbabel/openbab…
Open Babel retweeted
Streamlining the handling of aromaticity
baoilleach.blogspot.com/2018…
#openbabel
Open Babel retweeted
Para eso hay otro programa que se llama Open Babel, está muy bien y es fácil de usar.
Para llamarle en terminal:
babel -isdf decoys.sdf -opdb -splitinto -m
Open Babel retweeted
Caja de herramientas y diseño utilizadas para almacenar y analizar estructuras químicas. #OpenBabel #SoftwareLibre #TecnologíaEducativa #Elipse #FelizLunes #Educación elipse.iiiepe.edu.mx/aplicac…
🎉 We’re thrilled to be part of Google Summer of Code 2018 (@gsoc) as part of @OpenChem.
Want a #chemjob? Looking for great students with good ideas as we get Open Babel 3.0 finished this summer.
summerofcode.withgoogle.com/…