hmms117's repositories
alphafill
AlphaFill is an algorithm based on sequence and structure similarity that “transplants” missing compounds to the AlphaFold models. By adding the molecular context to the protein structures, the models can be more easily appreciated in terms of function and structure integrity.
alphafold
Open source code for AlphaFold.
alphafold2
To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released
bio_embeddings
[WIP] python package to embed protein sequences using different models (contextualized and not)
neurips19-graph-protein-design
Generative Models for Graph-Based Protein Design
protein-sequence-embedding-iclr2019
Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019
tape-neurips2019
Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.
ThermiaGenesisSmartControl
Smart control of Genesis heat pump based on electricity price
Uni-Mol
A Universal 3D Molecular Representation Learning Framework