PatWalters / yamcLinks
Yet another ML method comparison
☆16Updated 2 years ago
Alternatives and similar repositories for yamc
Users that are interested in yamc are comparing it to the libraries listed below
Sorting:
- ☆47Updated 5 years ago
- faster docking☆19Updated 4 years ago
- Synthetic Bayesian Classification☆47Updated 4 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- ☆28Updated last year
- ☆23Updated 4 years ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last month
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- ☆44Updated 3 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 5 years ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Updated 3 years ago
- ☆37Updated 2 years ago
- For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital …☆21Updated 2 years ago
- Open-source tool for synthons-based library design.☆83Updated 10 months ago
- Dynamic pharmacophore modeling of molecular interactions☆36Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Data from the COVID Moonshot project☆20Updated 2 years ago
- ☆17Updated last year
- ☆31Updated 2 years ago
- Mordred port in cpp☆50Updated 8 months ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆46Updated last year
- Evolutionary algorithm for the optimization of molecular properties.☆59Updated 6 months ago
- Code to analyze SAR datasets for Nonadditivity☆19Updated 4 years ago
- A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM☆39Updated 2 years ago
- ☆40Updated 3 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 4 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆43Updated last year
- Generate canonical molecule identifiers for quantum chemistry database☆23Updated 4 years ago
- Deep learning for compound price prediction☆19Updated last year