Schrodinger Suites 2026-1 x64 (Windows, Linux, macOS)

Schrodinger Suites 2026-1 x64 (Windows, Linux, macOS) - Wersja do druku

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Schrodinger Suites 2026-1 x64 (Windows, Linux, macOS) - CrackWarez - 13-02-2026

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Free Download Schrodinger Suites 2026-1 | 31.1 Gb
The software developer Schrödinger continuously strive to develop scientific solutions that push the boundaries of molecular design and are delighted to share enhanced drug discovery and materials workflows in Schrödinger's 2026-1 software release.

Small Molecule Drug Discovery
Platform Environment

Maestro Graphical Interface
- Redesigned Surface Manager - Control complex visualizations effortlessly with a modern, persistent interface that allows for real-time, non-modal editing of surface styles, colors, and transparency
- Persistent measurements - Geometric measurements now persist with the entries, allowing for uninterrupted structural comparison across multiple conformers and states
- Standalone density map import - Accelerate Cryo-EM and crystallography workflows with direct, standalone density map import
- Maestro Assistant modes (open beta) - A context-aware AI partner that intelligently toggles between 'Ask', 'Execute', and 'Auto' modes to seamlessly bridge documentation and direct action

Binding Site & Structure Analysis

Mixed Solvent MD (MxMD)
- Added support to command line MxMD driver to seamlessly execute all simulations and compile results from combined MxMD/SiteMap cryptic pocket identification workflow
WaterMap
- WaterMap now supports use of the OPLS_2005 forcefield and TIP4P water model

Hit Identification & Virtual Screening

Docking
- Understand, optimize, and troubleshoot native redocking experiments with new Docking Report to maximize docking performance

Lead Optimization

FEP+
- GraphDB/Web services can optionally download only the primary FMP file and not the FMPdb reducing time to analyzing results
- FEP+ workflows now support execution on cost-effective preemptible nodes
- Use 2D Sketcher to define Core SMARTS for FEP+
- Improved handling of categorical assay data in FEP+ statistical analysis
FEP+ Protocol Builder
- Sample three levels of salt concentrations in protocol optimization
- Sample automatic membrane placement in protocol optimization
FEP+ Pose Builder
- Automatically create accurate and clash-aware FEP-ready poses with FEP+ Pose Builder: Generate high-quality ligand alignments faster to run FEP+ at scale with an automated workflow designed for unbiased selection and robust atom-mapping
- LiveDesign FEP+ Pose Builder protocol now supports generating FMP files for cycle-closure FEP calculations
Quantum Mechanics
- Employ xTB and MLFFs including QRNN, MPNICE, and UMA in AutoTS from command line for shorter calculation times
- Faster batch calculations by optimized CPU core assignments for all multithreaded Jaguar batch calculations
Spectroscopy
- New corrections for C-Br and C-I bonds in 13C NMR spectra

De Novo Design

AutoDesigner - R-group Design
- Explore large chemical spaces to identify optimal R-groups with new AutoDesigner R-group Design Panel now accessible by setting a feature flag
- Added optional QED score (Quantitative Estimate of Drug-Likeness) for AutoDesigner R-group Design ideas
AutoDesigner - Core Design
- Explore large chemical spaces to identify optimal core replacements with new AutoDesigner Core Design Panel now accessible by setting a feature flag
- Added optional QED score (Quantitative Estimate of Drug-Likeness) for AutoDesigner Core Design ideas
Education Content
- Introducing a new, more interactive tutorial experience, letting users intuitively click through the steps of a workflow right in the tutorial. This approach is being piloted in two tutorials.
. Updated Tutorial: Structure-Based Virtual Screening Using Glide
. Updated Tutorial: Introduction to Structure Preparation and Visualization
- Fully re-worked learning content on Antibody Modeling:
- The "Antibody Visualization and Modeling in BioLuminate" tutorial has been replaced by a new suite of tutorials organized in a learning path together with other helpful resources.
. New Learning Path: Antibody Modeling
. New Tutorial: Antibody Structure Prediction and Visualization with BioLuminate
. New Tutorial: Humanizing Antibody Structures with BioLuminate
. New Tutorial: Antibody - Antigen Docking with PIPER
. New Tutorial: Improving Antibody Stability/Affinity Using MM-GBSA Residue Scanning
- New Tutorial: Generating ternary complex structures to enable rational design of targeted protein degraders
- Updated Tutorial: BACE1 Inhibitor Design Using Free Energy Perturbation
- New Quick Reference Sheet: Force Field Builder
- New Quick Reference Sheet: Ligand Interaction Diagram

Biologics Drug Discovery

- Release of MacroMolecular Pose Filter - Select the most plausible or relevant structural models of a macromolecular complex from a larger set of generated possibilities
- New protein descriptor - ASPmax - Added ASPmax (Maximum Average Surface Property) to our descriptor set. Used to predict the retention time of proteins in hydrophobic interaction chromatography (HIC) columns and aggregation risk
- Search and filter non-standard residues - Support for text-based searching and filtering of non-standard residues based on labels in the Name, Code, and Description columns
- Residue Lookup in the MMGBSA residue scanning panel - Quickly search and find residues to mutate
- Classification of residue scanning results - Color codes residue scanning results to designate positive, neutral or negative mutational variants based on energy score cut-offs

Materials Science

GUI for Quantum ESPRESSO
Product: Quantum ESPRESSO (QE) Interface
- Defect Formation Energy: Workflow solution to analyze point defects in crystals
- Options to set frequency cutoff / harmonic threshold in the Phonon DOS Viewer
- Support for TB09 density functional (command line)
- Support for rVV10-SCAN density functional (command line)
- Support for NpT ensemble in QE BOMD simulations (command line)
- (+MATSCI_NEB_MLFF) MLFF integration in NEB
MS Surface
Product: MS SurfChem
- Desorption Enumeration: WAM to open results in Adsorption Energy
Microkinetics
Product: MS Microkinetics
- Option to view selectivities and degrees of selectivity control
- Option to load/save archived MKM output
- Option to export reaction view as an image (PNG) file
- Results from individual stages made visible from the analysis panel
Optoelectronics Genetic Optimization
Product: Genetic Optimization (GA)
- Support for setting target property based on models from ML Property Prediction
Active Learning Optoelectronics
Product: Active Learning Optoelectronics
- Option to set target values excluded from optimizations
Reactivity
Product: MS Reactivity
- Nanoreactor: Option to specify separate hosts for driver and subjobs
- Nanoreactor: (+NANOREACTOR_AUTOTS) Automatic transition state search for elementary reaction network calculations via AutoTS
- Nanoreactor: Option to skip generating trajectory files
- Nanoreactor: User control over the time interval between trajectory frames
- Reaction Network Profiler: Option to refine conformer geometries using UMA (MLFF)
- Reaction Network Profiler: Option to assign stoichiometric multipliers for reactants
Transport Calculations via MD simulations
Product: MS Transport
- Ionic Conductivity: Support for MLFF
Dielectric properties
Product: MS Dielectric
- Complex Permittivity: Support for multi-component systems
Coarse-Grained (CG) Molecular Dynamics
Product: MS CG
- CG FF Builder: Improved detection and mapping of non-isomorphic residues
- CG FF Builder: Automated particle naming scheme with chemical context
- CG FF Assignment: Up to 15x speed-up for models with a large number of particle types
- Coarse-Grained Mapping: Residue number and name retained through mapping
- Coarse-Grained Mapping: Option to import SMARTS patterns from previous use
- Speed-up for DPD simulations of up to 30% with improved cutoff margins
Complex Bilayer Builder
Product: MS Complex Bilayer Builder
- Complex Bilayer: (+COMPLEX_BILAYER_BUILDER_EXTENDED_LIPID_LIB) Expanded list of default lipids
- Complex Bilayer: Increased limit for water padding depth to 5000 Å
- Complex Bilayer: Support for custom-trained OPLS
- Membrane Analysis: (+MEMBRANE_ANALYSIS_PREP_FOR_FEP) Support for generating poseviewer formatted files compatible with FEP calculations
- Membrane Analysis: Support for applying multiple leaflet-finding algorithms
Materials Informatics
Product: MS Informatics
- Machine Learning Property: Improved panel interface for model selection
- MD Descriptors: User control over simulation system size (max # of atoms)
- MD Descriptors: Support for formulation input with path assigned to structure files
- MLFF Calculations: Option to set constraints to atomic positions
- MLFF Calculations: Support for running on GPU nodes
Formulation ML
Product: MS Formulation ML
- Formulation ML: 'Learned Fingerprint' as a new option to feature space
- Formulation ML: Advanced option to process ('impute') training set data with partially missing descriptors
- Formulation ML: Improved UI for parity Description
- Formulation ML: Support for building machine learning models using training datasets with missing chemical (SMILES) information
- Formulation ML: Target property displayed in the 'Performance' tab
- Formulation ML: User control over correlation threshold between features
- Formulation ML Optimization: Support for custom-ingredient descriptors
- Formulation ML Optimization: Support for multi-CPU parallelization
- Formulation ML Optimization: Option to use genetic algorithms for formulation optimization
Layered Device ML
Product: MS Layered Device ML
- OLED Device ML: User control over correlation threshold between features
- OLED Device ML: Target property displayed in the 'Performance' tab

MS Maestro Builders and Tools

- Adsorption Enumeration: WAM to open results in Adsorption Site Finder / Adsorption Energy
- Adsorption Site Finder: WAM to open results in Adsorption Energy
- Adsorption Enumeration: Improved organization of output structures in the Project Table
- Adsorption Site Finder: Up to 200x of speed-up for jobs using MLFF
- Clean Up Structures: Support for MLFF
- Disordered System: Option to define residue name for components
- Support for converting *.vis files to *.cub formatted files (command line)
- Polymer: Import of coupling probabilities from a CSV formatted file
- Polysaccharide: (+POLYSACCHARIDE_BUILDER) Simplified model building solution for linear-chain polysaccharides
- Single Complex: Updated list of bridging ligands
- Query Bonds: Display of polyhedra for molecular crystals
- Query Bonds: Search for and modification of non-bonded atom pairs

Classical Mechanics

- Droplet: Support for using pre-assembled droplet models
- Droplet: Support for computing contact angles with hydrate surfaces
- Elastic Constants: Support for MLFF
- (+ALLOW_OLD_FORCEFIELD_PARAMETERS) Support for running MD using OPLS4/OPLS5 parameters with backwards compatibility (2025-4 and older)
- MD Multistage: FF type for the input structure displayed in the panel
- Stress Strain: Support for MLFF
- Stress Strain: Option to use velocities from previous strain steps
- Surface Tension: Improved analysis with block averaging scheme
- Tg: (+THERMOPHYSICAL_PROPERTIES_MLFF) Support for MLFF
- Umbrella Sampling: Workflow solution to run umbrella sampling algorithm for small molecules near lipid and surfactant bilayers
- Umbrella Sampling: Displaying quantity of overlap between windows
- Viscosity: Adjusted default timestep (0.5 fs) for MLFF simulations

Quantum Mechanics

- Adsorption Energy: Option to pre-optimize structures with MLFF
- Adsorption Energy: Support for atomic positional constraints with MLFF
- Crest: (+MATSCI_CREST_QCG) CREST Quantum Cluster Growth Utility
- QM Multistage: Option to select GFN2-xTB from the list of theory
- Optoelectronic Film Properties: Display of refractive index ratio per molecular species
- Reaction Network Viewer: Comprehensive analysis viewer GUI for viewing networks created by Reaction Network Profiler and Nanoreactor

Education Content

- New Tutorial: Catalytic Selectivity Through Microkinetic Modeling
- Updated Tutorial: Defect Formation Energy Calculation
- Updated Tutorial: Nanoreactor
- Quick Reference Sheet: Clean Up Structures

Education Content

Life Science
- Introducing a new, more interactive tutorial experience, letting users intuitively click through the steps of a workflow right in the tutorial. This approach is being piloted in two tutorials.
. Updated Tutorial: Structure-Based Virtual Screening Using Glide
. Updated Tutorial: Introduction to Structure Preparation and Visualization
- Fully re-worked learning content on Antibody Modeling:
- The "Antibody Visualization and Modeling in BioLuminate" tutorial has been replaced by a new suite of tutorials organized in a learning path together with other helpful resources.
. New Learning Path: Antibody Modeling
. New Tutorial: Antibody Structure Prediction and Visualization with BioLuminate
. New Tutorial: Humanizing Antibody Structures with BioLuminate
. New Tutorial: Antibody - Antigen Docking with PIPER
. New Tutorial: Improving Antibody Stability/Affinity Using MM-GBSA Residue Scanning
- New Tutorial: Generating ternary complex structures to enable rational design of targeted protein degraders
- Updated Tutorial: BACE1 Inhibitor Design Using Free Energy Perturbation
- New Quick Reference Sheet: Force Field Builder
- New Quick Reference Sheet: Ligand Interaction Diagram
Materials Science
- New Tutorial: Catalytic Selectivity Through Microkinetic Modeling
- Updated Tutorial: Defect Formation Energy Calculation
- Updated Tutorial: Nanoreactor
- Quick Reference Sheet: Clean Up Structures

LiveDesign

What's Upcoming in 2026-1
- Design new biologics by using a new Residue Mutation tool to perform single point mutations
- Report on project status with customizable Project Dashboards
- Interact with LiveDesign using an AI Assistant, available with the LiveDesign ML add-on

Schrödinger Softwareprovide accurate, reliable, and high performance computational technology to solve real-world problems in life science research. It can be used to build, edit, run and analyse molecules. The Schrödinger-Suite of applications have a graphical user interface called Maestro. Using the Maestro you can prepare your structure for refinement. The following products are available: CombiClide, ConfGen, Core Hopping, Desmond, Epik, Glide, Glide, Impact, Jaguar ( high-performance ab initio package), Liaison, LigPrep, MacroModel, MCPRO+, Phase, Prime, PrimeX, QikProp, QSite, Semi-Empirical, SiteMap, and Strike.

Schrödinger Release 2026-1 | Life Science - New Features

Schrödinger Release 2026-1 | Materials Science - New Features

Schrödinger, LLCprovides scientific software solutions and services for life sciences and materials research, as well as academic, government, and non-profit institutions around the world. It offers small-molecule drug discovery, biologics, materials science, and discovery informatics solutions; and PyMOL, a 3D molecular visualization solution. The company was founded in 1990 and is based in Portland, Oregon with operations in the United States, Europe, Japan, and India.

Owner:Schrödinger, LLC
Product Name:Schrödinger Suites
Version:2026-1 Advanced Version *
Supported Architectures:x64
Website Home Page :

Kod:
www.schrodinger.com

Languages Supported:english
System Requirements:Windows, Linux, macOs **
Size:31.1 Gb

*Notes: All workflows that rely on Desmond are not supported on Windows or Mac platforms, they can only be run on Linux. This includes Molecular Dynamics, IFD-MD, FEP+, WaterMap, and a number of Materials Science workflows. GPU machine learning applications such as Active Learning Glide and DeepAutoQSAR on GPU can only be run on Linux.

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