Alternatives and similar repositories for splito

Users that are interested in splito are comparing it to the libraries listed below

• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆56Updated 10 months ago
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆64Updated 3 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆72Updated 5 months ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆42Updated last year
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆42Updated this week
• rowansci / egret-public
  ☆71Updated last month
• polaris-hub / auroris
  Curate datasets with ease.
  ☆30Updated 11 months ago
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 6 months ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆89Updated 2 weeks ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆27Updated 11 months ago
• osmoai / osmordred
  Mordred port in cpp
  ☆50Updated 6 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆60Updated 3 months ago
• NVIDIA-Digital-Bio / nvMolKit
  A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, an…
  ☆126Updated this week
• log-md / logmd
  ☆63Updated 4 months ago
• dehaenw / ECFPinvert
  Algorithmic inversion of extended connectivity fingerprints (ECFP)
  ☆19Updated 11 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆70Updated 3 months ago
• samplchallenges / SAMPL9
  ☆31Updated last year
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• czodrowskilab / 5minfame
  ☆37Updated 2 years ago
• aspuru-guzik-group / group-selfies
  ☆68Updated 2 years ago
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆52Updated 11 months ago
• Degiacomi-Lab / molearn
  protein conformational spaces meet machine learning
  ☆47Updated 2 months ago
• rdkit / PREFER
  ☆28Updated 2 years ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆41Updated last year
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆68Updated 2 weeks ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆58Updated 7 months ago
• OpenFreeEnergy / ExampleNotebooks
  Notebooks demonstrating how to do simple tasks related to free energy calculations.
  ☆50Updated this week
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆47Updated 7 months ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆62Updated last year
• aspuru-guzik-group / dionysus
  For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital …
  ☆20Updated 2 years ago