Search Results for "databases"
Sort By:
Showing 15 open source projects for "databases"
View related business solutions-
Train ML Models With SQL You Already KnowBuild and deploy ML models using familiar SQL. Automate data prep with built-in Gemini. Query 1 TB and store 10 GB free monthly.
-
$300 Free Credits to Build on Google CloudStart your next project with $300 in free Google Cloud credit. Spin up VMs, run containers, query petabytes in BigQuery, or build agents with Gemini Enterprise Agent Platform. Once your credits are used, keep building with 20+ always-free tier products including Compute Engine, Cloud Storage, GKE, and Cloud Run functions. No commitment required—just sign up and start building.
-
1
ChemCrow
Chemcrow
ChemCrow is an AI-powered framework designed to assist in chemical research and discovery. It integrates AI models with chemical knowledge bases to provide intelligent recommendations for synthesis planning, reaction prediction, and material discovery. This tool helps automate and accelerate research in computational chemistry and drug development. -
2
Jmol
An interactive viewer for three-dimensional chemical structures.
...Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. Multiple files can be loaded and compared. A rich scripting language and a well-developed web API allow easy customization of the user interface. Features include interactive animation and linear morphing. Jmol interfaces well with JSpecView for spectroscopy, JSME for 2D->3D conversion, POV-Ray for images, and CAD programs for 3D printing (VRML export). -
3
pharmit
Open-source online virtual screening tools for large databases
-
4
AMBIT:Chemical Structure DB&Web Service
Chemical structures database & machine learning with web services API
...Flexible structure, similarity and study queries storage, descriptor calculation and predictive models building via REST web services.User interface for creating read across assessment and generating reports, aligned with regulatory and industrial requirements. Command line applications also available. Integration with third party tools and databases. -
Error to trace to log to deploy. One click. No SSH.AppSignal links every error to the trace, the trace to the log, the log to the deploy that shipped it.
-
5
JSmol
JavaScript-Based Molecular Viewer From Jmol
JSmol is the extension of the Java-based molecular visualization applet Jmol (jmol.sourceforge.net) as an HTML5 JavaScript-only web app. It can be used in conjunction with the Java applet to provide an alternative to Java when the platform does not support that (iPhone/iPad) or does not support applets (Android). Used in conjunction with the Jmol JavaScript Object (http://wiki.jmol.org/index.php/Jmol_Javascript_Object), JSmol seamlessly offers alternatives to Java on these non-Applet... -
6
MoCalc2012
GUI for MOPAC, DFTB+, GAMESS, Firefly, NWChem, ORCA and PSI4
MoCalc2012 is a simple, efficient Graphical User Interface for MOPAC, DFTB+, GAMESS(US), Firefly, NWChem, ORCA and PSI4. -
7
BioPPSy
A biochemical property prediction system
...The program and its databases are all open-source. -
8
Reack
Chemical reactions: balancing and stoichiometric calculations
This app allows build by introducing chemical compunds or import from a database equations of chemical reactions and balance them. Also it makes stoichiometric calculations with the balanced equation Do stoichiometric calculations on the balanced equation. Results can be saved in a text file. Also, there is an editable database of chemical elements. It is an integrated environment for aspects that usually are treated separately: Balancing of chemical reactions and ... -
9
CS Miner
A tool for Navigating in Chemical Space
CS-Miner stands for Chemical Space Miner and is a software tool for navigating in chemical space of compound databases. It helps for deriving appropriate classification models and performing virtual screening. Download it via: http://csminer.com/csm/?p=7 A quick tutorial is available through: http://csminer.com/csm/?p=8 -
Your monitoring isn't a stack. It's a pile. Fix that.Replace Datadog, New Relic, and Sentry without adding three more dashboards.
-
10
ParaSim
Parallelized calculation of molecular similarities
Diversity assessments and comparisons of large compound databases require calculating similarities of millions of compounds in an affordable time. ParaSim addresses this challenge by parallelizing the calculations according to the number of computing cores available on a single machine. It is optimized for the throughput of very large numbers of query structures against very large numbers of reference structures. -
11
RMol : SD/Molfile information in R
RMol: Transforming SD/Molfile structure information into R Objects
RMol is an R script with a collection of functions to link information of SD/Molfile structure databases with powerful graph analysis packages in R. -
12
Databases to aid Metabolomics projects providing storage functionality for raw and preprocessed data, and integration with existing data analysis environments.
-
13
Metmask has moved to github http://github.com/hredestig/metmask Metmask is a tool written in python for managing chemical identifiers for metabolomics experiments. It can incorporate identifiers from local textfiles, several online databases, query PubChem and record all found associations in a local sqlite database.
-
14
ScreeningAssistant is a software based on JOELib and dedicated to the management of chemical databases. It allows the user to select a set of compounds for screening tests (High Throughput Screening or Virtual Screening).
-
15
Solubility provides a GUI allowing users to develop regression models to predict the aqueous solubility of a molecule. Users can choose or create descriptors and/or atomic typing parameters, train the model, and apply it to large databases. 100% Java.
- Previous
- You're on page 1
- Next