Alternatives and similar repositories for FASMIFRA

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

• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆77Updated 2 years ago
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆108Updated this week
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆79Updated 7 months ago
• RPirie96 / RGMolSA
  ☆35Updated last year
• dkoes / rdkit-scripts
  A collection of cheminformatics scripts that use rdkit
  ☆70Updated 3 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• bigginlab / ABFE_workflow
  This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
  ☆60Updated last month
• UA-Libraries-Research-Data-Services / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆38Updated 2 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆48Updated 5 years ago
• hutchisonlab / QupKake
  Machine Learning model for molecular micro-pKa prediction
  ☆47Updated last year
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆56Updated last month
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆66Updated last year
• westpa / westpa_tutorials
  Tutorials and additional documentation for the WESTPA suite
  ☆16Updated 3 months ago
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• StructureGenerator / surge
  A Fast Chemical Graph Generator
  ☆92Updated last week
• rinikerlab / overlapping_assays
  Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".
  ☆44Updated 2 years ago
• hesther / reactiondatabase
  A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
  ☆35Updated last year
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆82Updated 3 months ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆85Updated last year
• forlilab / waterkit
  Tool to predict water molecules placement and energy in ligand binding sites
  ☆35Updated 4 months ago
• PatWalters / workshop
  ☆66Updated 4 years ago
• duerrsimon / substrate-scope-plot
  ☆55Updated 8 months ago
• gnina / SolTranNet
  Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
  ☆40Updated 4 years ago
• cimm-kzn / 3D-MIL-QSAR
  Conformer multi-instance machine Learning
  ☆59Updated 3 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆91Updated 9 months ago
• cosconatilab / PyRMD
  AI-powered Virtual Screening
  ☆85Updated 2 years ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆62Updated 7 years ago
• osmoai / osmordred
  Mordred port in cpp
  ☆53Updated 10 months ago
• rdkit / UGM_2024
  13th RDKit UGM. 11-13 September in Zurich, Switzerland
  ☆27Updated last year