AlBi-HHU / myopic-mces
☆14Updated 2 weeks ago
Alternatives and similar repositories for myopic-mces:
Users that are interested in myopic-mces are comparing it to the libraries listed below
- Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆51Updated this week
- Python-based GUI to collect Feedback of Chemist in Molecules☆48Updated 4 months ago
- ☆21Updated 2 years ago
- BitBIRCH clustering algorithm☆44Updated last month
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆27Updated last month
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆35Updated last year
- Direct-to-SVG small molecule drawer.☆24Updated 3 weeks ago
- ☆21Updated last year
- ☆22Updated 6 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆42Updated last month
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆22Updated 2 months ago
- An open library to work with pharmacophores.☆45Updated last year
- A knowledge-based method for determining small molecule binding "hotspots".☆35Updated 10 months ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆17Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆28Updated 2 weeks ago
- Machine learning accelerated docking screens☆27Updated last month
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆18Updated last year
- Fully automated high-throughput MD pipeline☆56Updated 3 weeks ago
- Gypsum-DL is a free, open-source program that converts 1D and 2D small-molecule representations (SMILES strings or flat SDF files) into 3…☆51Updated last month
- Scaffold decoration and fragment linking with chemical language models and RL☆25Updated 10 months ago
- Code to analyze SAR datasets for Nonadditivity☆18Updated 3 years ago
- ☆45Updated 4 years ago
- Dynamic pharmacophore modeling of molecular interactions☆35Updated 10 months ago
- RF-Score-VS binary☆30Updated 6 years ago
- ☆33Updated 2 years ago
- ☆31Updated 11 months ago
- A package to identify matched molecular pairs and use them to predict property changes.☆24Updated 10 months ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆46Updated last year
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆37Updated last month