rdkit / UGM_2020
Materials from the (virtual) 2020 RDKit UGM
☆52Updated 4 years ago
Alternatives and similar repositories for UGM_2020:
Users that are interested in UGM_2020 are comparing it to the libraries listed below
- ☆73Updated last year
- ☆45Updated 4 years ago
- Thompson Sampling☆65Updated 2 months ago
- ☆43Updated 3 years ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- Best practice document for alchemical free energy calculations going to livecoms journal☆69Updated last month
- ☆85Updated 3 weeks ago
- ☆64Updated 4 years ago
- Kinase-focused fragment library☆64Updated last month
- BitBIRCH clustering algorithm☆48Updated last week
- Materials from the 2022 UGM☆44Updated 2 years ago
- ☆27Updated 9 months ago
- ☆34Updated last year
- Computational Chemistry Workflows☆54Updated 2 years ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆35Updated last week
- Updated version of Silicos-it's shape-based alignment tool☆40Updated 11 months ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆44Updated 3 years ago
- Dynamic pharmacophore modeling of molecular interactions☆35Updated 10 months ago
- Machine learning accelerated docking screens☆38Updated 2 months ago
- An open library to work with pharmacophores.☆45Updated last year
- Open-source tool for synthons-based library design.☆74Updated 2 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space