The Library of the Mathematical Institute was founded in 1946 as the successor to the Library of the Mathematical Seminar, and it is the largest and most important treasure trove of knowledge in the field of mathematics, mechanics, and more recently of computer science. When founded, the Library did not possess a single publication, and the first monographs were procured by members of the Institute. The Library holdings gradually increased through further purchases and exchanges. The tradition of exchange with various mathematical institutions is still maintained today, and this is one of the most important ways of procuring material, especially scientific journals.

The first tasks of increasing the library holdings were performed by younger associates of the Institute, for whom it was a unique opportunity to get acquainted with the literature. The first acting librarian at the Institute, in 1950, was Boško Tomić, the secretary of the Institute, and, in 1952, Vojislav Popović, a translator, took his place. Vojislav was the librarian of the Institute until 1963, when Ilija Bratić replaced him and worked as a librarian until his retirement in 1992. Rajko Petronijević, employed from 1992 to 1993, spent a very short period as a librarian. After his departure in 1993, Branka Bubonja came to the position of librarian, where she worked until 2020.

Today, the Library is a centralised scientific library, according to systematisation. The Library collects, processes according to the established principles, stores and makes available materials from the mentioned fields – mathematics, mechanics and computer science. In 1995, the process of transferring from the card catalogue (Photo 1) to the online one began, and lasted until 1997. The holdings were transferred to the electronic format, and therefore the entire Library holdings are searchable through the online catalogue, available on the Institute's website. The current number of monographs in the Library is 15,461, while the number of journals is 618, or over 60,000 volumes. The extent to which the exchange is still present is shown by the fact that in 2020, out of the total number, only 18 magazines were purchased.

In addition to scientific journals and databases accessible through KoBSON, the Library provides access to two other mathematics-oriented databases – Zentralblatt für Mathematik and Mathematical Reviews (MathSciNet).

During 2020, the institutional repository of the Mathematical Institute was established. The repository stores scientific research papers of the Institute's associates. Since its establishment, almost 4,000 papers have been deposited, and everyone has thus been able to see the results of research in various fields of mathematics, mechanics and computer science.