Table 2 Python polymer packages

E1

XenonPy³²

Various pretrained models for different properties of interest and other ML tools related to chemical problems (including polymers)

E2

Topoly¹¹⁸, PSP¹¹⁹, PysoftK¹²⁰

Toolkits for polymer topology and structure

E3

pysimm¹²¹, Polyply¹²², m2p¹²³

Open-source polymer simulations and chain generation

E4

PMD¹²⁴

High throughput molecular dynamic simulations for a variety of properties

E5

BigSMILES Parser¹²⁵

Parses BigSMILES strings

E6

Matminer^{126,127,128,129,130,131,132,133,134,135,136,137,138}

Materials data miner from online databases