Alternatives and similar repositories for old-sdk

Users that are interested in old-sdk are comparing it to the libraries listed below

• C-Accel-Project-Old-Version / sdk-archive
  CRIPT Python SDK
  ☆11Updated 2 years ago
• CambridgeMolecularEngineering / chemdataextractor2
  ChemDataExtractor Version 2.0
  ☆187Updated 10 months ago
• supersciencegrl / codingForChemists
  Resources for and by the #codingForChemists Discord community!
  ☆10Updated 2 years ago
• open-reaction-database / ord-data
  Official data repository for the Open Reaction Database
  ☆319Updated 6 months ago
• lukasturcani / stk
  A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …
  ☆281Updated last month
• hjkgrp / molSimplify
  molSimplify code
  ☆210Updated this week
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆169Updated last year
• datamol-io / molfeat
  molfeat - the hub for all your molecular featurizers
  ☆221Updated 8 months ago
• blaiszik / awesome-matchem-datasets
  ☆278Updated 3 months ago
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆182Updated last month
• njzjz / openbabel-wheel
  ☆24Updated this week
• Hugo-Wan / Nanopolysaccharide-Builder
  ☆21Updated 4 months ago
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆202Updated 3 months ago
• choderalab / espaloma
  Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
  ☆262Updated 7 months ago
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆334Updated 2 weeks ago
• TorchSim / torch-sim
  Torch-native, batchable, atomistic simulations.
  ☆407Updated this week
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆180Updated 5 years ago
• basf / MolPipeline
  A Python package for processing molecules with RDKit in scikit-learn
  ☆212Updated last week
• DrrDom / crem
  CReM: chemically reasonable mutations framework
  ☆261Updated last month
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆381Updated 3 weeks ago
• mordred-descriptor / mordred
  a molecular descriptor calculator
  ☆457Updated 2 years ago
• wjm41 / molplotly
  add-on to plotly which show molecule images on mouseover!
  ☆259Updated last year
• sustainable-processes / ORDerly
  Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)
  ☆123Updated 6 months ago
• rdkit / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆273Updated 2 weeks ago
• gsantoni / ccCluster
  ☆10Updated 3 years ago
• doyle-lab-ucla / auto-qchem
  Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
  ☆118Updated 3 weeks ago
• MorganCThomas / MolScore
  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…
  ☆222Updated 3 weeks ago
• choderalab / openmmtools
  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
  ☆313Updated last month
• rxn4chemistry / rxn4chemistry
  Python wrapper for the IBM RXN for Chemistry API
  ☆236Updated 2 months ago
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆317Updated this week