Search life sciences software.

Using AI only
Drug Discovery & Molecular Design
Showing 165 results
Cloud-Native Platform logo
Cloud-Native Platform

by Examol

Scalable computational drug discovery with AI and physics-driven molecular insights, cheminformatics automation, and collaborative workflows.

Drug Discovery & Molecular Design
Molecular Docking & Virtual Screening
Cheminformatics Workflows logo
Cheminformatics Workflows

by Examol

Virtual screening and lead optimization workflows for drug discovery, from RDKit filtering to docking, MD, FEP, and ML-driven approaches.

Drug Discovery & Molecular Design
Cheminformatics & Compound Management
User Augmentation logo
User Augmentation

by Examol

Computational chemistry and biophysical analysis for scientists without programming expertise.

Drug Discovery & Molecular Design
Molecular Modeling & Simulation
BioMap OS logo
BioMap OS

by BioMap

Closed-loop life science discovery integrating AI-powered prediction, design, and intelligent experimentation across wet and dry lab workflows.

Drug Discovery & Molecular Design
Generative Molecular & Biologics Design
Genome Integrity Analysis logo
Genome Integrity Analysis

by Form Bio

Characterize genetic medicines by quantifying encapsidated genomes and identifying contaminants in viral vectors.

Drug Discovery & Molecular Design
Generative Molecular & Biologics Design
FORMsight AI - Codon Optimization logo
FORMsight AI - Codon Optimization

by Form Bio

AI-powered codon optimization balancing expression, truncation risk, and immunogenicity for therapeutic design.

Drug Discovery & Molecular Design
Generative Molecular & Biologics Design
SeeSAR logo
SeeSAR

by BioSolveIt

Interactive molecular modeling and docking for rapid drug candidate design and compound prioritization.

Drug Discovery & Molecular Design
Molecular Docking & Virtual Screening
infiniSee logo
infiniSee

by BioSolveIt

Chemical space navigation for discovering synthetically accessible compounds from ultra-vast libraries using pharmacophore similarity, analog search, and substructure matching.

Drug Discovery & Molecular Design
Cheminformatics & Compound Management
infiniSee xREAL logo
infiniSee xREAL

by BioSolveIt

Screen Enamine's trillion-compound catalog for drug-like molecules using similarity, substructure, and scaffold-based search on your own hardware.

Drug Discovery & Molecular Design
Cheminformatics & Compound Management
HPSee logo
HPSee

by BioSolveIt

High-performance computing access for scalable virtual screening and molecular docking workflows in drug discovery.

Drug Discovery & Molecular Design
Molecular Docking & Virtual Screening
PharmaSphere logo
PharmaSphere

by Receptor.AI

AI-driven drug candidate design across small molecules, peptides, and proximity inducers from hit discovery to lead optimization.

Drug Discovery & Molecular Design
Generative Molecular & Biologics Design
PharmaSphere logo
PharmaSphere

by Receptor.AI

AI-accelerated molecular design for proximity inducers, peptides, and small molecules with virtual screening and ADME-Tox prediction.

Drug Discovery & Molecular Design
Generative Molecular & Biologics Design
REAXENSE logo
REAXENSE

by Receptor.AI

AI-driven chemical discovery with 11M+ ready-to-use compounds, 10¹⁶ synthesis-ready molecules, and therapeutic peptide design for hit discovery and lead optimization.

Drug Discovery & Molecular Design
Cheminformatics & Compound Management
ChemDraw logo
ChemDraw

by Revvity Signals

Chemical drawing and structure management for creating, sharing, and presenting chemistry research with desktop and cloud options.

Drug Discovery & Molecular Design
Cheminformatics & Compound Management
Signals Xynthetica logo
Signals Xynthetica

by Revvity Signals

AI-powered molecular design with predictive modeling and virtual screening integrated into experimental workflows.

Drug Discovery & Molecular Design
Generative Molecular & Biologics Design
MAUD 1.0 logo
MAUD 1.0

by Menten AI

Generative AI for de novo design of cyclic peptides with drug-like properties targeting undruggable protein interactions.

Drug Discovery & Molecular Design
Generative Molecular & Biologics Design
Q-Discover logo
Q-Discover

by Quantori

Molecular design, protein folding, and computational chemistry for end-to-end drug discovery workflows.

Drug Discovery & Molecular Design
Generative Molecular & Biologics Design
PlayMolecule logo
PlayMolecule

by Acellera

Physics and AI-based virtual screening, binding prediction, and library design for small-molecule drug discovery.

Drug Discovery & Molecular Design
Molecular Docking & Virtual Screening
ACEMD logo
ACEMD

by Acellera

GPU-accelerated molecular dynamics simulation for protein-ligand binding, virtual screening, and structural analysis in drug discovery.

Drug Discovery & Molecular Design
Molecular Modeling & Simulation
QuantumBind logo
QuantumBind

by Acellera

AI-driven small molecule discovery and potency optimization using generative chemistry, quantum mechanics, and molecular simulations.

Drug Discovery & Molecular Design
Generative Molecular & Biologics Design