Thanks to @Asma_Jamali_R's hard work, molpipx is now pip-installable and has a comprehensive documentation website! 🎉
pip install molpipx
📖 Docs: lnkd.in/em6NTsNr
🔗 GitHub: lnkd.in/gHeNnCqg
#compche
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Happy membrane simulations with Lipid21
Lipid21: Complex Lipid Membrane Simulations with AMBER pubs.acs.org/doi/10.1021/ac…
#compche #compbio #biophysics @ausbiophyssoc @GMX_TWEET
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Machine Learning | GenAI | AI reposted
RT @PythonExpertBot: RT @MLSTjournal: Great new work by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBunibern @IBMResearch - 'Prediction of chemical reaction yields using #deeplearning' - bit.ly/31CAbMI #machinelearning #compche…
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Context-Driven Exploration of Complex Chemical Reaction Networks arxiv.org/abs/1709.02479 #compche #preprint
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