site banner

Workshop on Open Science with Github and Zenodo

Scientists are frequently required to share their funded research data and products with citable permanent links. Learn how to use the freely available Github platform for project management and collaboration, connect your Github project to the open Zenodo repository to share your work, and make it citable with a permanent Digital Object Identifier (DOI). No previous experience is necessary. The workshop will be held on

Tuesday, April 16th at:
Library of Science and Medicine Conference Room
12:00-2:00 pm
Presenter: Aditya Vyas

Bring a laptop, and your lunch if you wish

To register:

Please contact me with any questions. I hope to see you there! ~ Laura

ACS Webinar: Women at the Interface of Comp Chem and Drug Discovery

If you are considering a career in computational chemistry and drug discovery, you may want to check out this webinar on March 28th at 2:00 pm, presented by a panel of successful female computational chemists.

Highlights of the webinar include:

    -The distinct career paths and backgrounds of the drug design and discovery panel of female computational chemists
    -The importance of a team mentality and the role of mentors to overcome career obstacles in computational chemistry
    -Input regarding skills, characteristics, behaviors, and experiences necessary to advance as a female computational chemist in the drug discovery and development arena
    -How their individual roles propel translational research from computer bench to bedside

To register and for more information, please visit

Workshop on Github and Git

Have you ever thought about using Github, and are you interested in learning more about it? If so, please attend one of the upcoming workshops to get all of your Git questions answered!

Introduction to Github and Git

Friday November 9th
1:30-3:30 pm
Library of Science and Medicine
(will repeat Friday Nov. 16th at Alexander Library, Pane Room, same time)

This workshop will introduce participants to the open code sharing platform Github, and explore commonly used functions in GitHub and Git. The first 45 minutes will be introductory, and will continue with slightly more advanced functions in the second half. No previous experience is necessary, and please bring your own laptop.

The workshop is free, but please register at:

If you have any questions, please don’t hesitate to contact me at

NSF Data Management Plans Made Easy: Introducing ezDMP

Join us for lunch and test drive the new Data Management Plan writing tool, presented by Dr. Helen Berman of the Department of Chemistry and Chemical Biology. A workshop will be held:

Friday, October 26th
12:30 – 2:00 pm
Library of Science and Medicine,
Busch Campus

Please bring your own laptop, and registration is required for lunch:

Please contact me at with any questions. I’m looking forward to seeing you there!

Free (and sometimes overlooked) Chemistry Resources

If you’ve been in a class where I’ve taught, you may have heard me mention some free chemistry resources. I wanted to share with you another blog post I wrote on this topic, titled “Free (and sometimes overlooked) Chemistry Resources“. I wrote this for the Inside Science Resources blog, published by the Association of College and Research Libraries’ (ACRL) STS Science Resources Discovery and Access Committee. Please check it out, and be sure to add your favorites to the comments. Suggestions added to the comments may also be included in the Rutgers Libraries Chemistry Research Guide at

Access to Cambridge Structural Database now available through Rutgers Libraries

As a result of your feedback, the Libraries have provided a link to the Cambridge Structural Database of small crystal structures through our website. To access it, go to and click Connect.

Full access to this database is made available courtesy of the Cambridge Crystallographic Data Centre, which currently has an office on Busch campus. Thank you to Amy Sarjeant and Paul Sanschagrin of the CCDC for helping to make this happen.

When on campus, you will be automatically validated through your IP address. Limited searching is also available for free to all users, regardless of location. However, in order to utilize full functionality of the CSD, you will need to create an account and download additional software. This can be done through the link provided above, by clicking on the blue text in the first paragraph that says “click here”. Users will then be required to log in with their NetID and password, and after validation will be provided with a site license number and access code, which can be entered on the CSD site.

I hope this makes access to the CSD more convenient for you. If you have any questions, please don’t hesitate to contact me at

Pizza and Reaxys today!

Join us today in Wright-Rieman 260 from 12:30-1:30 for pizza and to see the new Reaxys! Theresa Buiel, the Reaxys representative, will be there to answer your questions about how to retrieve experimental property data, develop synthetic schemes, and find relevant literature. I hope to see you there!

Chemistry Demos at the Library of Science and Medicine

In honor of Geek Week 2018, the Library of Science and Medicine is hosting chemistry demos by Bob Porcja of the Department of Chemistry and Chemical Biology. On Wednesday, February 28th, from 3:00-5:00, Bob will perform “An Unorthodox Review of Chemistry”. Fun and interactive chemistry demonstrations will be of interest to geeks of all stripes, not just chemists! Come take a break from studying, eat some snacks, and have a little fun doing chemistry!

ACS opens ChemRxiv Beta

The ACS recently announced that its new pre-print server ChemRxiv (chem archive), is available in beta at ChemRxiv is one of several new pre-print repositories modeled after ArXiv, the long running pre-print archive for physics.

A pre-print is a pre-publication version of a paper, posted online so that research can be widely shared and made freely available as soon as possible. Pre-prints are not peer-reviewed, and are not edited, they are usually published as-is. ACS does only a minimal check of submissions, stating that “ChemRxiv conducts a basic screen for plagiarism, offensive language, and non-scientific content.”

Before posting a paper on ChemRxiv or elsewhere, you should check the publication policies of any journal you intend to publish in. The ACS policies on prior publication can be found at

Please feel free to contact me at about this, or with any other questions you may have about open access. The Libraries have specialists who can help!

Materials Platform for Data Science

You may already be familiar with the Pauling File, a database of inorganic compounds containing phase diagrams, crystal structures, and physical properties, named after Linus Pauling. ( The Pauling File is a relational database with licensed content under a number of commercial providers.

One of the newest products to utilize the Pauling File is the Materials Platform for Data Science, MPDS, at The MPDS offers access to the Pauling File, with some content freely available. Tutorials and examples are available on Github, and an API is available from the developers, Dr. Evgeny Blokhin of Tilde Materials Informatics. The API will allow data mining of Pauling File contents. Please see the developer’s website for more information.