Search Results for "drug"
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Showing 121 open source projects for "drug"
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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. -
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PIKAPIKA
A beautiful, easy-to-use and ad-free comic and game client
A beautiful, easy-to-use and ad-free manga client that can run on Windows/MacOS/Linux/Android/IOS. There are restricted levels of content in this APP (such as explicit/bloody/violent/drug abuse), users under the age of 18 must use it accompanied by a guardian, and please abide by local laws and regulations. Your star and issue are a great encouragement to developers, you can download the latest source code/installation package from the source warehouse, and express support/suggestions. VPN... -
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DeepChem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc
DeepChem aims to provide a high-quality open-source toolchain that democratizes the use of deep learning in drug discovery, materials science, quantum chemistry, and biology. DeepChem currently supports Python 3.7 through 3.9 and requires these packages on any condition. DeepChem has a number of "soft" requirements. If you face some errors like ImportError: This class requires XXXX, you may need to install some packages. Deepchem provides support for TensorFlow, PyTorch, JAX and each requires... -
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BioNeMo
BioNeMo Framework: For building and adapting AI models
BioNeMo is an AI-powered framework developed by NVIDIA for protein and molecular generation using deep learning models. It provides researchers and developers with tools to design, analyze, and optimize biological molecules, aiding in drug discovery and synthetic biology applications. -
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PyRx - Virtual Screening Tool
Virtual Screening software for Computational Drug Discovery
PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes... -
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OpenClinic GA
Open Source Integrated Hospital Information Management System
OpenClinic GA is an open source integrated hospital information management system covering management of administrative, financial, clinical, lab, x-ray, pharmacy, meals distribution and other data. Extensive statistical and reporting capabilities. -
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R packages (maintained by YJLEE)
R packages for PK/PD modeling , BE/BA, drug stability, ivivc, etc.
These R packages are developed for data analysis of PK/PD modeling & simulation, bioequivalence/bioavailability (BE/BA), drug stability, in-vitro and in-vivo correlation (ivivc), as well as therapeutic drug monitoring (TDM). -
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MzDOCK - Multiple Ligand Docking Tool
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
- Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us... -
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Combinatorial therapies have been recently proposed for improving anticancer treatment efficacy. SynergyFinder R package is a software tool to analyze pre-clinical drug combination datasets developed in our group. To facilitate the use of the R package for the drug discovery community, we also provide a web server called SynergyFinder PLus at http://synergyfinder.org/ that provides a user-friendly interface to enable a more flexible and versatile analysis of drug combination data. Sister...
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RetroScheme- Get Your Retrosynthesis
- RetroScheme is used for molecule sketching and retrosynthesis
RetroScheme was specifically designed to help Chemists in knowing potential starting material through retrosynthetic analysis. The App is basically a GUI wrapper for the library Aizynthfinder from Astrazeneca.. - The App is coupled with molecular sketching tool to sketch your compound - This was made to be easy for the user and can be used endlessly to assist in potential new drug synthesis -
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Chem-Parser
Molecule Sketcher and Immediate Parser to Excel, .SMI and 3D SDF
... mapping, Chem-Parser significantly reduces manual effort in dataset preparation, ensuring consistency and accuracy across large compound libraries. Whether you're building predictive models or managing compound repositories, Chem-Parser offers a user-friendly interface and high-throughput parsing capability that makes it an indispensable addition to any researcher's toolkit. A must-have tool for computational chemists, medicinal chemists, and data scientists involved in drug discovery and molecular -
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Amazon Genomics CLI
Tool to simplify the processes of deploying the AWS infrastructure
... infrastructure, providing you with an easy-to-use command-line interface to quickly setup and run genomics workflows on Amazon Web Services (AWS) specified by languages like WDL. By removing the heavy lifting from setting up and running genomics workflows in the cloud, software developers and researchers can automatically provision, configure and scale cloud resources to enable faster and more cost-effective population-level genetics studies, drug discovery cycles, and more. -
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prediction_of_ic50
prediction of ic50 for different cancer cell lines
We have developed the web server for prediction of ic50 for different cancer cell lines, such as for lung cancer A549 cell lines, for colorectal cancer HCT116 cell lines, for blood cancer K562 cell lines. This helps the user to predict the ic50 value, lower the ic50 value indicate the more potency of compound. This information might help in lead optimization, virtual screening, etc. -
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Aestel
Applications for data management
.... (Postgres and Oracle have been tested). The two applications have been initially developed for small molecule drug discovery research. However, they can be extended for use in other data domains. -
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dopewars is a drug dealing game based on "Drug Wars" by John E. Dell. Originally set in New York, your aim is to deal in drugs and make your fortune... See the website at https://dopewars.sourceforge.io for more information.
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OpenVigil
Open pharmacovigilance data extraction, mining and analysis tool
OpenVigil provides a webinterface to analyse pharmacovigilance data, i.e., spontanous or systematic collections of treatments (drugs) and observed adverse events ("drug side effects"). FDA Adverse Event Reporting System (AERS) and other pharmacovigilance data (e.g., Canadian or German) are supported. The OpenVigil web-based analysis tools offer several analysis modes like extraction, filtering, mining of data and analyses via measurements of disproportionality like proportional reporting ratio... -
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Cell proliferation is defined as the process that leads to an increase in the number of cells and the balance between cell divisions and cell loss. Cell proliferation plays an important role in regular tissue and cellular homeostasis for proper growth, development and maintenance of the organism. Moreover, abnormal cell proliferation is associated with different diseases, such as cancer. The cell proliferation assays can be used for pharmaceutical drug discovery and diagnostic purposes.
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Toxtree: Toxic Hazard Estimation
Toxicity prediction for chemical compounds
A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation and Eye irritation prediction -Benigni / Bossa rulebase for mutagenicity and carcinogenicity prediction -START biodegradation and persistence prediction -Skin sensitisation reactivity domain -Kroes TTC Decision tree -SMARTCyp - Cytochrome P450-Mediated Drug... -
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Open Drug Discovery Toolkit (ODDT)
Modular and comprehensive toolkit for use in cheminformatics
Open Drug Discovery Toolkit (ODDT) is modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc. ODDT is written in Python, and makes extensive use of Numpy/Scipy. You can use any supported toolkit united under common API (for reference see Pybel or Cinfony). All methods and software based on Pybel/Cinfony should be drop-in compatible with ODDT toolkits. In contrast to its predecessors, which were aimed to have minimalistic API, ODDT introduces extended methods... -
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AmPEP and AxPEP
Sequence-based Antimicrobial Peptide Prediction by Random Forest
Antimicrobial peptides (AMPs) are promising candidates in the fight against multidrug-resistant pathogens due to its broad range of activities and low toxicity. However, identification of AMPs through wet-lab experiment is still expensive and time consuming. AmPEP is an accurate computational method for AMP prediction using the random forest algorithm. The prediction model is based on the distribution patterns of amino acid properties along the sequence. Our optimal model, AmPEP with 1:3... -
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Euler
A distributed graph deep learning framework.
As a general data structure with strong expressive ability, graphs can be used to describe many problems in the real world, such as user networks in social scenarios, user and commodity networks in e-commerce scenarios, communication networks in telecom scenarios, and transaction networks in financial scenarios. and drug molecule networks in medical scenarios, etc. Data in the fields of text, speech, and images is easier to process into a grid-like type of Euclidean space, which is suitable... -
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CLINI+AST
Electronic Medical Record and Prescription
Small free software to keep Medical Record as well as Prescription print or share [if legal] useful for General Practitioner ,specialist ,Dentist and OPD dept. in hospital. Please Find Android version for Mobile user. -
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VRmol
Virtual reality system to explore macromolecular structure
... to a number of cloud-based genomic and drug databases, it provides an integrative platform to perform advanced structural and translational research. It can be freely accessed online by typing https://VRmol.net in VR-supported browser.