Awesome Open Source
Search
Programming Languages
Languages
All Categories
Categories
About
Search results for python virtual screening
python
x
virtual-screening
x
11 search results found
Dd_protocol
⭐
67
Official repository for the Deep Docking protocol
Pyscreener
⭐
56
pythonic interface to virtual screening software
Rxdock
⭐
43
RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
Pyplif Hippos
⭐
22
HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS
Screenlamp
⭐
18
screenlamp is a Python toolkit for hypothesis-driven virtual screening
Chemprop
⭐
16
Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.
Pharmaconet
⭐
14
Official Github for "PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling" (NeurIPS 2023 Workshop)
Smiles Featurizers
⭐
12
Extract Molecular SMILES embeddings from language models pre-trained with various objectives architectures.
Deeplbvs
⭐
10
Ligand-based Virtual Screening using Deep Learning
Siteinterlock
⭐
8
A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed by graph theoretic constraint counting on the covalent and noncovalent bond network. Raschka et al. (2016) Proteins: Structure, Function, and Bioinformatics
Riff
⭐
6
Reaction-informed Fusion of Fragments (RiFF
Related Searches
Python Django (28,897)
Python Machine Learning (21,210)
Python Jupyter Notebook (18,149)
Python Deep Learning (17,893)
Python Flask (17,643)
Python Pytorch (16,379)
Python Dataset (14,792)
Python Docker (14,113)
Python Tensorflow (13,736)
Python Command Line (13,351)
1-11 of 11 search results
Privacy
|
About
|
Terms
|
Follow Us On Twitter
Copyright 2018-2024 Awesome Open Source. All rights reserved.