Journal of Cheminformatics
Pinned
Repositories
- Atom-matching-network Public Forked from maryamastero/Atom-matching-network
Learning atom mappings in chemical reactions through deep graph matching (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00841-0)
- wiswesser Public Forked from Mblakey/wiswesser
Zombie cheminformatics: extraction and conversion of Wiswesser Line Notation (WLN) from chemical documents (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00831-2)
- SBVS-PARP1 Public Forked from cabaklaud/SBVS-PARP1
Comprehensive machine learning boosts structure-based virtual screening for PARP1 inhibitors (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00832-1)
- MindYourPrevalence Public Forked from LhasaLimited/MindYourPrevalence
Mind your prevalence! (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00837-w)
- Rxn-INSIGHT Public Forked from mrodobbe/Rxn-INSIGHT
Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matrices (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00834-z)
- eDen-Substances Public Forked from s-singh-ivv/eDen-Substances
Classification of substances by health hazard using deep neural networks and molecular electron densities (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00835-y)
- BEC-Pred Public Forked from KeeliaQWJ/BEC-Pred
Data and code of enzymatic reaction prediction model BEC-Pred. (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00827-y)
- PART Public Forked from UAMC-Olivier/PART
Plumed Automatic Restraining Tool. A command line tool to prevent aggregation in molecular dynamics simulations. (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00819-y)
- small-molecule-autoencoders Public Forked from MarieOestreich/small-molecule-autoencoders
Small molecule autoencoders: architecture engineering to optimize latent space utility and sustainability (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00817-00)
- NP_Fingerprints Public Forked from dahvida/NP_Fingerprints
Effectiveness of molecular fingerprints for exploring the chemical space of natural products (https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00830-3)
People
This organization has no public members. You must be a member to see who’s a part of this organization.
Top languages
Loading…
Most used topics
Loading…