diff --git a/README.md b/README.md index 3897bfc..2889890 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,8 @@ # Similarity based Molecular Generation (SiMGen) - + + + SiMGen is a local similarity based molecular generation method. It uses a pretrained MACE model to generate local molecular descriptors and a time-dependent similarity kernel to generate new molecules.