rnaimehaom Goto Github PK
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rnaimehaom's Projects
rcpphnsw
Rcpp bindings for the approximate nearest neighbors library hnswlib
rcppsmc
Rcpp bindings for Sequential Monte Carlo
rcppxptrutils
XPtr Add-Ons for 'Rcpp'
rcppxts
Rcpp interface to xts objects
rcsbsearch
Python interface for the RCSB search API.
rcsdp
rd_filters
A script to run structural alerts using the RDKit and ChEMBL
rdatkit
RNA Data (RDAT) read/write scripts
rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
rdeditor
Simple RDKit molecule editor GUI using PySide
rdimtools
Dimension Reduction and Estimation Methods
rdiopt
R interface to run DIOPT ortholog finders
rdist
An R package to calculate pairwise distances
rdk_confgen
rdkit-cats2d
Modification of the code of Rajarshi Guha (which uses OECHem) to use RDKIT.
rdkit-descriptors-for-homo-lumo-energy-gap-prediction
rdkit-pypi
⚛️ RDKit Python Wheels on PyPi. 💻 pip install rdkit
rdkit-scripts
rdkit scripts making life easier
rdkit-scripts-1
A collection of cheminformatics scripts that use rdkit
rdkit_nn_analysis_ecfp_gobbi_fps
Parallel K-NN intra- inter- similarity analysis for EFCP/GOBBI compound fingerprints
rdkit_pains
pains filter using rdktit
rdkit_summary
rdkit总结与实践
rdkit_tutorials
rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
rdkitjs_onnx_multitask
rdkittutorial
Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive modeling
rdock
mirror of https://sourceforge.net/projects/rdock/
rdock-1
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.
rdpwrap
RDP Wrapper Library
rdtool
Optimized version of the Reaction Decoder Tool (RDTool)
re-balanced-vae
Code for our paper Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation.
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