PARCE-project / PARCE-1Links
PARCE version 1.0
☆12Updated 4 years ago
Alternatives and similar repositories for PARCE-1
Users that are interested in PARCE-1 are comparing it to the libraries listed below
Sorting:
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆85Updated 2 months ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆26Updated 2 years ago
- The source code for ADME@NCATS application that hosts prediction models for ADME properties. Link to application: https://opendata.ncats.…☆39Updated last week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆27Updated 4 years ago
- A Unified Approach to Protein Engineering☆41Updated last year
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- ☆101Updated 10 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- ☆29Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆45Updated last month
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆97Updated this week
- development repository for PyInteraph2☆22Updated 9 months ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆19Updated 2 months ago
- cime public repository☆33Updated 3 years ago
- Tools for molecular Docking☆27Updated 5 months ago
- This repository contains the implementation of a novel machine learning classifier trained on the Dataset of Congruent Inhibitors and Dec…☆23Updated 5 years ago
- Structure-informed machine learning for kinase modeling☆59Updated last week
- ☆32Updated last year
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- ☆52Updated 3 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated 3 weeks ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- Practical Cheminformatics Blog Posts☆67Updated last week
- PyPEF – Pythonic Protein Engineering Framework☆25Updated 4 months ago
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 9 months ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆45Updated 2 years ago
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆23Updated 3 months ago